data_1a5j_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 1a5j _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.478 ' C ' ' H ' ' A' ' 8' ' ' GLY . 35.0 t -93.53 -25.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 20.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.6 67.6 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.81 5.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.507 ' CH2' ' HA ' ' A' ' 37' ' ' LEU . 9.4 m95 -79.05 171.9 14.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.463 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.3 p -152.23 -163.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 tmtt? -62.3 -31.26 71.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -51.62 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -50.34 -39.98 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.24 -29.08 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.576 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -64.43 -29.51 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.574 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.9 tttp -70.06 -46.8 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.523 HG12 ' CG1' ' A' ' 33' ' ' ILE . 2.2 t -52.66 -38.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.546 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -68.84 -33.39 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.9 -21.94 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.488 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 1.5 mt -89.02 -44.49 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' CD1' ' A' ' 33' ' ' ILE . 54.9 t -59.82 -34.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -76.5 -40.44 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -73.9 -15.17 61.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.655 ' CD2' HD22 ' A' ' 32' ' ' LEU . 3.2 m-85 -100.32 -52.58 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 120.55 5.1 10.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.545 HG22 ' CG ' ' A' ' 49' ' ' TRP . 0.2 OUTLIER 71.62 55.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.425 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 -44.31 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -95.81 73.41 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 62.5 m95 -58.16 -17.85 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.29 -29.57 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.655 HD22 ' CD2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -61.88 -55.16 32.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.523 ' CG1' HG12 ' A' ' 18' ' ' VAL . 4.3 mp -45.37 -61.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 36' ' ' HIS . . . -61.58 -63.24 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 31' ' ' THR . 12.1 tttt -44.06 -28.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.553 ' CD2' HD11 ' A' ' 32' ' ' LEU . 10.8 m-70 -84.19 -59.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -97.87 92.18 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -161.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.27 -48.84 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.41 -172.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.33 145.39 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.03 13.43 56.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 44' ' ' GLN . 2.6 tptt -80.83 -138.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 35.55 66.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.2 m -166.27 -44.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 108.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 6.5 mtt180 -36.79 -35.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.17 56.55 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.65 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.545 ' CG ' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -98.79 -21.28 16.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.78 -31.12 10.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.533 ' N ' HD21 ' A' ' 51' ' ' ASN . 1.4 m-80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 68.6 m95 -62.69 175.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.9 p -124.27 -158.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 14.7 mm-40 -80.85 -82.04 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -29.73 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.67 -41.26 79.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.97 -47.4 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 mtp180 -56.35 -61.55 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 73' ' ' ALA . 61.1 mt -37.39 -65.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.501 ' CD1' HG12 ' A' ' 96' ' ' VAL . 35.5 mt -51.38 -45.49 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -66.7 -14.07 62.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -126.87 21.25 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -117.92 -33.91 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.834 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 5.8 t-80 -69.66 -14.62 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.44 11.54 36.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -114.75 -36.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.95 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.791 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 161.82 -131.65 2.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -89.35 25.62 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.18 55.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.834 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 16.1 m95 -50.86 -36.16 36.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.54 -29.12 61.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.62 -39.62 10.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.479 ' CG2' HG13 ' A' ' 96' ' ' VAL . 3.8 mm -50.18 -48.56 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -67.06 -45.46 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -41.53 -28.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' N ' ' C ' ' A' ' 85' ' ' ALA . 11.4 mt -74.25 -51.67 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.1 mm? -98.83 111.23 60.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.55 8.71 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.78 -51.44 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.55 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.0 mmt180 -89.24 160.13 17.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -107.2 -169.8 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -74.2 -44.77 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -13.98 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.35 -66.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.501 HG12 ' CD1' ' A' ' 70' ' ' ILE . 57.9 t -54.91 -51.17 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -42.25 -59.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.5 t-20 -60.27 -44.07 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.4 t60 -48.72 -23.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.575 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -68.52 -53.13 25.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.019 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 54.6 m-80 -83.41 -4.44 58.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.49 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 50.7 m -73.46 -77.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 m -132.32 -6.78 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.575 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -100.49 35.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 8' ' ' GLY . 2.1 t -128.81 -144.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.56 28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 111.57 77.14 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.652 ' CZ3' ' CD1' ' A' ' 37' ' ' LEU . 8.6 m0 -62.5 164.66 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.1 p -152.58 172.62 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -38.15 -32.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -62.02 -55.13 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.98 -21.15 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.51 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 3.3 m-20 -91.43 -19.04 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 2.8 pt20 -88.75 -27.89 20.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -47.05 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.5 HG23 ' CG2' ' A' ' 33' ' ' ILE . 2.1 t -65.03 -37.12 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.63 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -63.07 -72.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.76 -22.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 36' ' ' HIS . 20.5 mt -81.25 -77.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.533 ' CG1' ' CZ2' ' A' ' 49' ' ' TRP . 4.0 t -41.96 -30.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.25 -49.79 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -68.49 -20.84 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.609 ' CE2' HD21 ' A' ' 32' ' ' LEU . 4.7 m-30 -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 49.25 108.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.579 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 160.6 -71.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 166.25 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 8.2 mt-30 -109.51 95.3 5.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 25.7 m95 -97.29 -8.73 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -72.9 -49.22 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.609 HD21 ' CE2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -49.82 -49.35 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 29' ' ' GLN . 4.4 mp -54.33 -38.64 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.12 14.18 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -116.34 -39.27 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.579 ' CE1' HD12 ' A' ' 21' ' ' LEU . 9.9 m-70 -83.47 -10.56 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.652 ' CD1' ' CZ3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -147.01 117.42 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -88.09 169.86 11.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.45 ' C ' ' CD1' ' A' ' 5' ' ' LEU . . . 105.64 -53.48 0.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.527 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -103.26 153.97 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.47 -172.08 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.88 68.65 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -144.02 -51.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.42 97.07 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.9 m -162.48 -65.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 4.5 ptm180 -82.91 46.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -105.48 31.14 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -89.89 -50.19 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.63 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -79.0 -17.01 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.68 -63.75 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.783 ' N ' HD21 ' A' ' 51' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.597 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 79.8 m95 -62.82 177.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 p -124.6 -156.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.1 mt-10 -82.06 -81.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -44.06 -32.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 88' ' ' LEU . 2.2 mt-10 -65.94 -41.91 90.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -70.96 -49.14 48.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.1 mmp_? -58.85 -62.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 88' ' ' LEU . 27.9 mt -38.74 -70.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.488 HD11 ' CG1' ' A' ' 96' ' ' VAL . 64.6 mt -43.22 -55.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -50.23 -38.79 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.13 12.2 35.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.451 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -111.12 -22.55 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.79 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.8 t-80 -75.51 -15.5 60.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.13 11.45 39.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -112.49 -28.4 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.05 -69.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.79 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.36 -122.96 1.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.78 19.41 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 52.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.3 m95 -47.81 -36.98 12.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.999 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.19 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 3.4 mm-40 -109.56 -44.38 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.51 ' CG2' HG12 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -44.85 -38.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -75.18 -38.38 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' GLU . 34.2 mttt -62.79 74.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.7 mt -156.48 -43.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -124.53 150.79 65.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.91 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.4 142.17 4.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.48 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 69.8 mmt-85 67.13 125.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.8 p -92.43 -139.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 -48.08 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.26 -14.39 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -82.26 -69.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.588 HG21 ' CH2' ' A' ' 62' ' ' TRP . 97.7 t -54.43 -50.59 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.63 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.9 ttpp -38.43 -64.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -57.16 -49.32 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.597 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 4.8 t60 -44.59 -28.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.605 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.1 t-105 -61.77 -68.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 67.8 m-80 -69.43 -3.94 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 22.4 t -72.05 -78.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -126.03 -12.99 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.605 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.7 mt -90.96 31.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 22.1 mmmt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.05 -27.89 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 16.52 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 176.13 62.9 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 126.24 9.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 7.1 m0 -72.84 160.69 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' GLU . 71.7 p -153.17 171.65 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' THR . 3.0 tptm -39.86 -32.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.08 -51.42 68.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -53.55 -31.84 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.438 ' O ' HD12 ' A' ' 19' ' ' ILE . 10.0 m-20 -78.21 -47.69 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -53.51 -24.66 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.0 tttp -83.61 -53.35 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' CG1' HG13 ' A' ' 33' ' ' ILE . 2.7 t -56.68 -36.5 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.68 ' CD1' ' CZ2' ' A' ' 49' ' ' TRP . 1.1 mp -65.34 -75.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 32.8 tt0 -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.526 ' CD1' ' ND1' ' A' ' 36' ' ' HIS . 41.8 mt -54.62 -56.23 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG21 ' NH1' ' A' ' 46' ' ' ARG . 21.4 t -61.78 -14.53 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -15.12 33.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -20.35 12.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.697 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.4 m-30 -93.98 -53.46 3.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 145.0 -116.11 0.9 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.502 1.127 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 1.0 OUTLIER -163.36 29.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.402 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -132.67 8.0 4.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.469 ' C ' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -120.28 94.01 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.593 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 17.6 m95 -84.46 -6.11 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -69.03 -47.84 64.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.356 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.7 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -52.09 -16.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.518 HG13 ' CG1' ' A' ' 18' ' ' VAL . 3.8 mp -90.53 -48.66 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.02 28.9 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 31' ' ' THR . 16.8 tttt -126.19 -38.08 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.7 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 3.1 m-70 -85.93 -9.94 56.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.616 ' HB2' ' CH2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -142.39 109.62 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -99.65 124.83 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.67 -27.8 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 165.97 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.51 164.62 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.17 96.27 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.57 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.3 96.49 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.7 -77.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 25.4 ptt180 -95.51 76.6 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -110.88 -13.35 14.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -94.76 -90.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.68 ' CZ2' ' CD1' ' A' ' 19' ' ' ILE . 12.1 p-90 -41.87 -30.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' C ' ' A' ' 48' ' ' ARG . 9.5 t-80 -61.91 -64.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.619 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 64.5 m95 -62.85 174.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 p -123.81 -158.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' ASP . 10.5 mm-40 -80.32 -79.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.57 -34.38 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 70' ' ' ILE . 1.4 mt-10 -65.26 -38.46 90.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.0 OUTLIER -69.59 -50.67 42.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.0 mtp180 -58.49 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' ARG . 93.0 mt -36.81 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.48 HD12 ' CG2' ' A' ' 96' ' ' VAL . 29.3 mt -49.31 -51.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 10.7 t80 -54.82 -23.25 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . 4.3 pt-20 -113.8 11.46 18.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -107.29 -24.03 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.825 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.5 t-80 -75.19 -15.36 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 11.62 38.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -112.06 -30.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.468 ' CD1' ' OE2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -132.48 -73.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.825 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.34 -127.85 1.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -88.94 24.24 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -72.22 53.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.746 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 15.9 m95 -47.87 -34.41 8.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.981 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.55 -32.84 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.468 ' OE2' ' CD1' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -102.41 -37.01 8.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.489 ' CG2' HG12 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -54.23 -46.99 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 70.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' HG ' ' CD1' ' A' ' 88' ' ' LEU . 3.5 tp -165.98 -42.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' CD1' ' HG ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -100.03 144.79 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 87.67 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 145.97 5.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 28.7 mmt180 68.8 148.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 14.8 p -114.43 -148.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.67 -50.89 10.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -14.32 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.583 HG21 ' CH2' ' A' ' 62' ' ' TRP . 62.4 t -55.05 -52.34 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.4 ttpp -37.67 -62.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -58.31 -44.93 88.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.619 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 3.4 t60 -50.26 -22.65 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.604 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 1.0 OUTLIER -67.28 -52.85 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 55.5 m-80 -83.81 0.15 48.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.5 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 47.5 t -75.05 -75.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.13 -8.38 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.614 HD13 ' CG ' ' A' ' 99' ' ' HIS . 9.1 mt -99.25 38.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.479 ' HD3' ' C ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.534 ' CG1' ' H ' ' A' ' 7' ' ' LYS . 13.6 t -105.06 -131.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.534 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.07 29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 122.67 78.23 0.43 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 8.6 m0 -66.87 160.68 25.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.5 p -152.59 170.63 19.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -42.3 -33.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.567 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -58.01 -45.14 87.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -59.64 -43.07 94.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LYS . 11.4 m-20 -67.09 -66.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.567 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 5.7 pt20 -38.13 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ASP . 14.2 tttt -76.36 -61.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.495 ' CG1' HG12 ' A' ' 33' ' ' ILE . 2.2 t -58.1 -16.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.57 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -82.79 -68.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 19' ' ' ILE . 38.2 mt-10 -55.28 -19.16 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.582 HD12 ' CE1' ' A' ' 36' ' ' HIS . 13.1 mt -79.17 -65.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 18' ' ' VAL . 76.3 t -51.36 -20.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 23.4 mttt -72.21 -58.57 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -23.93 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.617 ' CD2' HD22 ' A' ' 32' ' ' LEU . 3.1 m-85 -84.53 -58.72 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 30.45 100.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 175.45 -64.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.3 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -107.7 86.7 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CE3' HD12 ' A' ' 33' ' ' ILE . 26.6 m95 -91.89 -5.74 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.0 -42.31 97.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.617 HD22 ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -51.13 -48.23 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.543 HD12 ' CE3' ' A' ' 30' ' ' TRP . 4.6 mp -54.55 -40.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.26 11.17 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -113.49 -38.23 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.582 ' CE1' HD12 ' A' ' 21' ' ' LEU . 9.3 m-70 -84.47 -17.37 39.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.616 ' HB2' ' CH2' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -143.52 116.2 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -122.26 113.41 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.92 -34.78 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -128.82 51.7 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 40.33 -166.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.65 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.64 -69.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.96 82.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.8 t -152.66 -47.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' CYS . 82.3 mtt180 -36.2 -33.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -67.08 81.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.61 -54.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -119.53 -17.12 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.039 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -42.19 75.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.549 ' ND2' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.584 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 75.0 m95 -63.66 176.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.05 -166.27 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mm-40 -75.31 -77.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -47.49 -31.89 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.5 mt-10 -67.43 -32.78 73.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.8 t0 -67.61 -54.75 17.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ILE . 16.3 mmm180 -54.87 -60.37 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.452 HG23 ' CD2' ' A' ' 88' ' ' LEU . 72.0 mt -37.63 -53.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.3 mm -52.77 -70.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -46.43 -23.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -77.15 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.461 ' CB ' HG13 ' A' ' 84' ' ' ILE . . . -54.85 -26.97 38.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.71 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 11.9 t-80 -76.45 -18.08 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -101.69 16.45 25.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.96 -40.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -111.94 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.71 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 157.08 -121.9 1.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.62 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.02 58.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -52.88 -33.67 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.04 -23.8 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' ARG . 11.7 mm-40 -113.77 -9.08 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.601 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -81.78 -39.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -72.67 -31.96 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -42.53 -29.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' ALA . 2.2 mp -78.34 -47.95 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 mm? -94.89 111.96 56.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 152.48 41.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.07 -31.22 6.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -103.52 134.96 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 p -91.42 -153.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -83.54 -47.8 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.66 -14.25 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.5 -67.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 84' ' ' ILE . 67.0 t -57.47 -54.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.636 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.6 ttpp -39.18 -57.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -58.64 -44.0 89.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.64 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 8.6 t60 -58.07 -21.54 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.567 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.578 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 1.3 t-105 -67.29 -45.73 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.468 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 55.5 m-80 -89.36 0.85 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 16.0 m -74.16 -83.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.86 -5.79 6.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.64 ' CD1' ' CD2' ' A' ' 99' ' ' HIS . 6.4 mt -88.42 38.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 23.2 mmmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.43 -161.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 8.33 15.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 178.42 59.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -74.99 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.546 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 12.2 m0 -55.24 172.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 10.5 p -151.49 -163.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -49.71 -34.57 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.574 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.92 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.538 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 11.0 mp0 -51.31 -39.57 57.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -63.5 -28.52 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.574 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -66.5 -28.87 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.527 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 1.2 tttp -67.74 -48.67 65.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.49 ' CG2' HD12 ' A' ' 37' ' ' LEU . 1.9 t -50.5 -51.19 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.581 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -52.97 -39.6 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.85 -22.29 62.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.505 ' HB3' ' CD2' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -83.16 -72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.477 HG23 ' CD1' ' A' ' 33' ' ' ILE . 17.7 t -40.94 -29.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -70.24 -53.93 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -66.04 -23.23 66.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CE2' HD21 ' A' ' 32' ' ' LEU . 3.7 m-30 -85.24 -59.45 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.582 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 41.54 106.29 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 165.19 -69.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' CE ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 166.89 63.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -125.67 79.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CZ3' ' HB3' ' A' ' 45' ' ' CYS . 38.6 m95 -85.09 -8.01 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 108.006 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.49 -41.39 80.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.622 HD21 ' CE2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -51.77 -48.4 63.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.9 mp -57.19 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -25.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 31' ' ' THR . 1.4 tmmt? -80.93 -36.69 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 12.4 m170 -84.16 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 0.4 OUTLIER -94.0 92.43 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 36.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.33 -15.23 64.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.67 164.2 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.05 -174.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.86 24.73 19.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -77.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -82.64 52.2 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.59 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -95.66 -52.78 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.0 mtt180 -60.81 80.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' CYS . 6.2 tt0 -149.66 -40.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.417 ' NH1' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -38.08 -34.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -117.23 -42.07 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.029 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.38 -71.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.62 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 42.9 m95 -62.34 -173.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.034 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.7 p -148.81 -163.28 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' ASP . 22.8 mm-40 -73.67 -76.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -44.88 -37.26 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.97 -34.26 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.7 t70 -69.72 -53.26 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 18.0 mmm180 -57.1 -57.99 10.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.488 ' CG2' HD12 ' A' ' 87' ' ' LEU . 65.9 mt -42.01 -73.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' CG1' ' A' ' 96' ' ' VAL . 30.0 mt -45.13 -55.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 24.0 t80 -47.97 -21.02 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' HG21 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -95.97 -45.53 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -53.66 -28.94 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.765 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.4 t-80 -72.23 -13.84 61.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 14.03 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -116.91 -34.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.82 -73.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.765 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.23 -118.17 0.84 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.44 19.38 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.35 57.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.674 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.5 m95 -52.66 -33.66 48.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.99 68.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -112.09 -9.83 13.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -79.31 -45.91 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -57.92 -17.61 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -69.47 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.488 HD12 ' CG2' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -157.17 -37.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.583 ' CB ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -91.95 -175.45 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.583 ' CD ' ' CB ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 1.81 7.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.82 119.79 1.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.587 ' HD2' ' CH2' ' A' ' 62' ' ' TRP . 30.3 mmt180 -148.5 18.97 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.476 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 69.3 p 42.3 -103.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.476 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -163.81 -44.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -15.7 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.76 -65.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.54 HG23 ' CH2' ' A' ' 62' ' ' TRP . 62.1 t -62.9 -48.45 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -38.61 -49.24 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.2 t-20 -74.04 -38.48 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.62 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.1 t60 -52.48 -19.12 2.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.562 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -72.41 -49.78 31.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.003 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 58.0 m-80 -87.89 -5.92 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 23.4 m -72.09 -75.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.8 m -134.71 -7.02 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.562 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 0.8 OUTLIER -99.05 33.74 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 8' ' ' GLY . 12.0 t -83.71 -24.22 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -78.03 16.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.45 67.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 121.81 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.635 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.7 m95 -81.23 168.93 17.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 16.4 p -151.93 -164.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 ttpt -58.28 -34.16 70.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -50.82 -40.61 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.478 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 63.5 m-20 -63.08 -30.09 71.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -66.96 -25.81 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 10.5 tttt -67.97 -53.2 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.592 HG12 ' CG2' ' A' ' 33' ' ' ILE . 11.5 t -49.17 -50.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.532 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -58.11 -42.59 83.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.08 -11.82 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -83.23 -50.44 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.573 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 3.9 t -64.8 -26.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -41.24 60.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.34 -23.13 37.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 4.5 m-30 -86.2 -57.69 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 32.37 94.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -175.43 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.409 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER 170.46 46.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.41 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -113.34 94.8 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.601 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 33.2 m95 -115.26 -4.52 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -44.22 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.648 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -53.7 -23.61 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.61 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 2.3 mp -67.91 -49.47 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.65 4.47 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 -18.18 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.648 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 9.5 m-70 -88.92 -41.84 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.635 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 2.0 mt -108.04 94.31 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -81.91 -162.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.45 -52.56 3.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.4 173.6 10.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.68 151.68 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -44.7 104.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLY . 7.6 tmtt? -39.41 94.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER 62.65 129.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.1 t -124.48 103.38 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.601 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.3 mtt180 66.54 87.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.25 29.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -178.66 -78.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 108.021 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -40.54 -34.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.604 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 85.0 m95 -102.55 -168.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.493 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -148.73 -165.81 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -77.64 -81.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.47 -27.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.493 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 27.8 mt-10 -70.31 -38.68 74.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.8 t0 -66.38 -49.67 66.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ILE . 19.2 mmm180 -54.52 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 73.9 mt -37.81 -47.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -56.61 -70.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 2.1 t80 -48.47 -22.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -76.8 -53.8 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 84' ' ' ILE . . . -64.21 -27.5 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.704 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.5 t-80 -73.13 -15.83 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.55 16.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.8 t -126.16 -41.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -111.2 -76.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.704 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.87 -118.71 0.87 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 19.08 5.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.609 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.02 57.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.242 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.0 m95 -51.88 -34.34 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.93 -27.27 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.1 mm-40 -110.79 -8.2 14.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.609 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -80.87 -41.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -70.57 -15.66 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.89 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 69' ' ' ILE . 5.4 mp -74.33 -6.27 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.23 159.02 43.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.68 104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 72.2 mmt-85 -149.36 20.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.548 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 19.9 p 36.86 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -115.35 -37.24 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -14.07 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 91' ' ' ARG . . . -80.25 -69.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.487 ' CG1' HG22 ' A' ' 84' ' ' ILE . 58.3 t -58.4 -54.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.601 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.0 ttpp -38.68 -63.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -55.71 -52.58 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.604 ' CG ' ' NE1' ' A' ' 62' ' ' TRP . 5.1 t60 -46.16 -25.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.616 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.0 t-105 -64.43 -68.12 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.014 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.441 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 68.8 m-80 -69.26 -3.5 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.6 m -72.8 -80.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -123.78 -13.13 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.616 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.6 mt -90.79 31.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 27.7 mmmt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.49 ' CG1' ' H ' ' A' ' 7' ' ' LYS . 5.8 t -75.09 -133.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.49 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.22 29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 110.79 80.04 1.08 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.63 10.09 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.661 ' CE3' HD21 ' A' ' 37' ' ' LEU . 8.8 m0 -76.7 144.58 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 p -134.83 -166.19 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -39.1 -56.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -44.27 -61.85 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.502 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 17.0 mp0 -52.12 -42.53 63.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.464 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -62.67 -37.52 86.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -59.06 -24.56 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.509 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 3.8 tttm -69.37 -50.77 43.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.524 ' CG1' ' CG1' ' A' ' 33' ' ' ILE . 2.0 t -48.83 -46.18 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.566 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -62.8 -32.9 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.12 -20.83 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.483 HD21 ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -78.83 -50.69 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.559 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 91.8 t -60.02 -38.04 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -66.79 -34.03 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -82.1 -25.75 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.624 ' CE2' HD23 ' A' ' 32' ' ' LEU . 4.2 m-30 -85.42 -59.0 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 47.76 108.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 164.22 -68.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.353 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER 166.41 48.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.84 93.11 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.583 ' CZ2' ' O ' ' A' ' 45' ' ' CYS . 44.3 m95 -100.35 -10.82 20.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -70.6 -41.93 71.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.57 -47.63 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' CG1' ' CG1' ' A' ' 18' ' ' VAL . 5.1 mp -58.1 -47.55 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.38 6.0 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' THR . 14.6 ttpt -111.79 -35.0 5.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.561 ' O ' ' CH2' ' A' ' 10' ' ' TRP . 12.5 m-70 -84.64 -45.59 12.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.661 HD21 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -103.28 67.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.81 -177.88 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 89.41 -35.6 3.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.492 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -116.32 32.09 6.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 41.12 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 44' ' ' GLN . . . -128.7 17.84 5.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLY . 5.3 tttm -40.0 -30.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.479 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 1.3 tm0? -98.79 54.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 30' ' ' TRP . 20.2 p -91.26 17.26 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 50' ' ' HIS . 3.7 mtm105 -158.35 101.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 23.2 tt0 -175.44 110.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 2.6 tmt_? 87.79 -22.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.566 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -111.36 -32.46 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.035 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -92.56 -78.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.614 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.806 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.595 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 93.1 m95 -94.7 -172.3 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.15 -169.87 2.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.0 mt-10 -76.49 -74.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.3 mt-10 -47.65 -33.83 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 3.1 mt-10 -64.23 -26.43 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -75.91 -61.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 69' ' ' ILE . 11.3 ptp180 -56.71 -53.01 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 65' ' ' GLU . 84.4 mt -46.19 -73.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 96' ' ' VAL . 29.6 mt -45.57 -51.58 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -50.2 -22.81 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.7 mt-10 -94.66 -47.49 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -54.99 -19.42 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.781 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.6 t-80 -83.5 -18.69 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 7.82 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -115.24 -32.43 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -122.2 -69.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.781 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.35 -124.67 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.64 21.61 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.504 ' HD3' ' CG ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.54 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.673 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.9 m95 -51.29 -36.52 42.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.21 -24.11 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.504 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 7.0 mm-40 -102.94 -35.48 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.534 ' CG2' HG13 ' A' ' 96' ' ' VAL . 4.2 mm -55.4 -54.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.18 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -60.45 -22.75 63.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.23 -13.94 39.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 5.2 mp -131.38 102.74 15.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 104.39 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.536 1.808 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.79 -24.34 0.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.531 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 26.8 mmt180 -133.56 155.63 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 p -96.91 -166.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.95 -47.13 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -14.75 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.57 -66.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 62' ' ' TRP . 54.2 t -54.88 -55.39 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.625 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -36.85 -59.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.9 t-20 -59.74 -52.89 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.618 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 5.6 t60 -45.3 -25.6 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.598 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.7 t-105 -64.19 -68.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 107.972 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.45 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.7 m-80 -68.99 -3.89 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 68.4 m -72.17 -80.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.32 -13.28 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.618 ' CD1' ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -90.18 29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' A' ' 8' ' ' GLY . 54.2 t -98.49 -25.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.58 18.37 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 167.3 71.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.48 6.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.654 ' CE3' HD21 ' A' ' 37' ' ' LEU . 7.9 m95 -79.39 171.52 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.469 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 18.4 p -152.08 -162.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 1.9 tttt -64.29 -26.46 68.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.01 -71.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -50.65 -40.22 52.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.406 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.8 m-20 -64.14 -37.06 86.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -59.99 -24.47 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -70.0 -54.32 13.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.559 HG12 ' CG2' ' A' ' 33' ' ' ILE . 2.8 t -48.03 -49.19 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.561 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -56.41 -39.43 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.84 -16.34 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.494 HD21 ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -85.72 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.457 HG13 ' NE1' ' A' ' 49' ' ' TRP . 91.9 t -48.22 -25.9 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -59.12 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -11.51 58.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.626 ' CD2' HD21 ' A' ' 32' ' ' LEU . 3.3 m-30 -95.43 -56.08 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 50.77 97.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 165.73 -60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER 177.99 -81.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.599 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 6.2 mt-30 40.2 53.05 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.603 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 37.9 m95 -65.92 -24.29 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -67.64 -42.27 82.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.771 ' O ' ' N ' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -54.36 -53.93 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.559 ' CG2' HG12 ' A' ' 18' ' ' VAL . 4.8 mp -47.18 -80.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.51 -49.47 5.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.5 ttmt -59.87 -38.51 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.771 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.5 m-70 -84.12 1.37 44.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.654 HD21 ' CE3' ' A' ' 10' ' ' TRP . 51.2 mt -154.97 93.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -95.47 -172.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.88 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.25 -168.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.83 138.7 31.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.66 7.82 60.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.3 OUTLIER -62.2 -137.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' LYS . 17.9 pt20 35.19 34.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.542 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -119.33 -171.89 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.603 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 47.4 mtp180 36.48 73.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -147.17 -45.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.97 71.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.46 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 21.3 p90 -107.51 -26.25 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.12 -52.85 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.688 ' N ' HD21 ' A' ' 51' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.755 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 40.7 m95 -61.98 -175.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 p -144.39 -155.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.1 mt-10 -79.74 -82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -46.63 -27.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.5 mt-10 -71.48 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.3 t70 -66.37 -52.85 42.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 69' ' ' ILE . 29.6 mmm-85 -55.46 -62.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 68' ' ' ARG . 52.3 mt -35.58 -50.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.463 ' CD1' HG12 ' A' ' 96' ' ' VAL . 1.2 mm -53.83 -64.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.8 t80 -59.3 -14.81 12.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -84.84 -33.8 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -85.29 -29.43 24.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.753 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.9 t-80 -65.56 -14.14 60.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -103.54 15.09 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -119.51 -37.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.97 -70.19 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.86 -116.76 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.27 20.04 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HD3' ' CG ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.6 55.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.611 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.3 m95 -51.71 -37.43 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -25.1 21.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.501 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 2.4 mm-40 -100.24 -41.32 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.503 ' CG2' HG13 ' A' ' 96' ' ' VAL . 4.0 mm -47.26 -44.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.11 77.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -59.52 -19.23 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 mt -93.73 -16.31 24.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.77 101.41 18.51 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.96 -24.17 0.61 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.5 mmt180 -125.81 158.89 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.2 p -99.6 -164.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -50.6 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -14.22 35.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.64 -67.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.503 HG13 ' CG2' ' A' ' 84' ' ' ILE . 97.1 t -55.78 -53.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.611 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -61.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.9 t-20 -57.05 -41.92 79.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.755 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.6 t60 -53.24 -20.31 3.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.539 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.629 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -73.78 -43.78 57.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 54.0 m-80 -93.66 -0.92 55.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' ASN . 34.7 m -77.35 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 -6.83 3.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.629 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 16.3 mt -107.26 43.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.537 ' H ' ' CD ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.457 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.8 t -69.32 -133.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.29 25.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 112.13 75.7 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.72 23.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.645 ' CZ3' HD21 ' A' ' 37' ' ' LEU . 11.0 m0 -61.15 150.95 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' LYS . 31.0 p -139.81 -163.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.6 tttt -38.72 -53.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -44.25 -72.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.628 ' CD ' ' CE3' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -50.59 -40.33 52.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 14.0 m-20 -63.53 -28.45 69.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.43 -28.49 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.65 -46.73 68.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.507 HG22 ' CG ' ' A' ' 37' ' ' LEU . 2.0 t -52.75 -45.58 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.579 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -57.27 -40.86 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.63 -25.18 63.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CB ' HD12 ' A' ' 32' ' ' LEU . 1.8 mt -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 33' ' ' ILE . 3.4 t -52.52 -23.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -55.91 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.616 ' CD2' HD22 ' A' ' 32' ' ' LEU . 3.2 m-85 -84.31 -58.53 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 31.15 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 178.43 -63.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 0.74 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.27 45.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.25 87.09 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 33.5 m95 -93.65 -7.55 43.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.86 -40.67 91.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.01 -48.71 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.494 ' CD1' HG23 ' A' ' 22' ' ' VAL . 4.8 mp -57.97 -54.0 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.51 -5.3 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.4 tttt -99.78 -35.64 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.6 m170 -84.27 -48.11 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.645 HD21 ' CZ3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -105.7 80.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -74.16 -166.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.446 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 90.39 -18.84 47.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -137.19 153.91 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.92 -175.53 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.02 25.09 9.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -53.37 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.366 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.0 48.2 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.578 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -81.16 -42.55 20.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -89.72 -146.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 tt0 85.2 59.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -165.02 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CZ3' HG13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -91.14 -10.64 41.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.991 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -33.16 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.648 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.655 ' N ' HD21 ' A' ' 51' ' ' ASN . 1.1 m-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 74.5 m95 -63.78 176.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.022 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 p -124.87 -156.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mm-40 -83.78 -82.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -26.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.86 -42.71 66.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.82 -46.48 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.7 mmm-85 -55.95 -63.38 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ALA . 68.1 mt -37.08 -68.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.495 ' CD1' HG12 ' A' ' 96' ' ' VAL . 30.0 mt -49.68 -46.79 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.66 -14.98 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.9 pt-20 -127.58 21.41 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -121.57 -15.61 7.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.951 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 16.2 t-80 -90.56 -23.4 20.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.6 13.83 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 4.2 t -118.76 -33.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.494 ' CB ' ' HD3' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -121.68 -76.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.726 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 169.1 -140.96 6.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.487 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.57 28.14 3.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.518 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 2.7 ptm85 -74.42 48.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.951 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.8 m95 -41.58 -34.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.42 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' HG3' ' A' ' 80' ' ' ARG . 5.3 mm-40 -112.5 -47.4 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.511 ' HB ' ' HA ' ' A' ' 81' ' ' TRP . 4.1 mm -42.68 -36.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -77.45 -45.78 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -49.62 -23.52 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.55 -39.3 58.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' ALA . 13.1 mt -104.45 118.17 57.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.03 2.39 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.06 -25.32 1.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 25.4 mmt-85 -110.02 162.51 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.1 p -112.43 -55.86 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.3 -64.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -29.11 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -66.29 -66.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.497 HG13 ' CG2' ' A' ' 84' ' ' ILE . 58.7 t -56.45 -55.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.626 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -38.8 -66.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.1 t-20 -54.41 -53.9 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 28.6 t60 -43.44 -27.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.663 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 8.6 t-105 -62.8 -65.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.507 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 70.4 m-80 -75.69 -1.95 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.543 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 2.0 t -76.99 -74.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -114.98 -17.18 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.663 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 5.0 mm -86.8 28.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 15.2 mmtt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.475 ' C ' ' H ' ' A' ' 8' ' ' GLY . 36.4 t -106.23 -26.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 22.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.09 66.72 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 37' ' ' LEU . 7.9 m95 -76.36 170.52 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 19.9 p -152.16 -163.01 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLN . 10.5 tmtt? -60.21 -32.14 70.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -50.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 80.9 mm-40 -51.0 -39.62 56.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -64.92 -26.97 68.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.575 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 3.9 tttt -69.78 -39.52 76.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.508 HG12 ' CG2' ' A' ' 33' ' ' ILE . 7.4 t -64.32 -57.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.604 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -49.29 -29.65 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.19 -28.43 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.516 HD21 ' CE1' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -70.26 -41.13 73.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.421 ' HA ' ' HB2' ' A' ' 25' ' ' TYR . 44.4 t -69.6 -30.11 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -71.21 -27.85 63.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -26.82 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 26' ' ' GLY . 4.6 m-30 -86.82 -55.82 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.51 101.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 177.64 -66.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.444 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 27' ' ' THR . 12.8 tptt 178.65 37.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -111.44 91.67 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 50' ' ' HIS . 53.9 m95 -109.93 -12.54 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 -44.63 70.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.781 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -54.37 -18.95 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.508 ' CG2' HG12 ' A' ' 18' ' ' VAL . 17.1 mm -65.82 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . -72.88 -30.64 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -27.98 68.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.781 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 11.8 m170 -84.19 -53.19 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.587 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -106.67 96.22 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -84.06 -159.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.78 -56.89 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.68 166.12 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.99 116.65 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' ALA . . . -56.85 -24.24 48.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -153.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 40.98 31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 42' ' ' GLY . 25.4 p -118.48 -45.95 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -39.92 -54.33 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.91 86.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.52 -21.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.604 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -155.22 -38.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.05 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 12.4 t-80 -62.23 -39.15 91.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.529 ' ND2' ' HD1' ' A' ' 50' ' ' HIS . 1.8 m-80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.6 m95 -61.84 175.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 59.8 p -135.63 -159.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASP . 4.3 mm-40 -78.04 -79.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 69' ' ' ILE . 6.4 mt-10 -44.67 -40.3 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 16.3 mt-10 -60.28 -36.88 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t0 -63.67 -52.71 59.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.8 mtp180 -59.44 -58.7 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.474 ' C ' ' O ' ' A' ' 68' ' ' ARG . 67.1 mt -34.92 -47.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -57.15 -66.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 1.5 t80 -58.71 -15.07 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -86.91 -17.54 32.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 84' ' ' ILE . . . -105.39 -28.95 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.775 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 11.6 t-80 -70.62 -14.09 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -103.98 14.04 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -119.55 -40.03 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.96 -73.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.775 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.47 -124.72 1.42 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 25.07 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.8 57.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.732 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 15.0 m95 -53.12 -36.49 60.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.49 53.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -100.5 -35.05 9.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.507 ' CG2' HG13 ' A' ' 96' ' ' VAL . 4.2 mm -56.15 -52.61 48.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -62.59 -39.43 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -48.62 -28.47 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -34.66 30.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.1 mp -114.62 105.81 53.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.62 8.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.64 -10.74 75.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.7 mmt180 -148.43 167.41 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.7 p -112.2 -171.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -66.14 -67.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -29.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 93' ' ' ASP . . . -69.09 -65.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.507 HG13 ' CG2' ' A' ' 84' ' ' ILE . 98.0 t -53.96 -56.35 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -39.75 -69.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 102' ' ' SER . 5.2 t-20 -55.45 -52.51 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.713 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 26.5 t60 -44.48 -30.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.686 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 6.3 t-105 -59.48 -65.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.499 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.5 m-80 -74.22 -3.19 28.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.588 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 7.5 t -75.06 -75.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -115.95 -14.41 11.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.686 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 2.8 mm -88.25 28.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 6.1 mmtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' A' ' 8' ' ' GLY . 14.0 t -107.68 -22.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 19.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 170.04 65.51 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 140.45 25.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.599 ' CZ3' HD11 ' A' ' 37' ' ' LEU . 10.6 m95 -64.33 160.99 17.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.028 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.8 p -152.97 165.86 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' THR . 12.1 tttm -36.9 -49.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.613 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.07 -46.34 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.509 ' OE1' ' CD1' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -55.01 -41.31 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.451 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.9 m-20 -71.59 -70.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.613 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 2.5 pt20 -41.23 -36.57 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HD3' ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.65 -74.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.544 HG12 ' CG1' ' A' ' 33' ' ' ILE . 2.9 t -39.77 -36.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.586 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -62.73 -67.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -49.33 -21.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 32' ' ' LEU . 6.0 mt -76.6 -64.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' GLY . 11.4 t -50.36 -22.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.09 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -19.54 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.536 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -92.89 -57.01 2.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 25.48 93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -170.25 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.37 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER 165.93 -7.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -69.65 83.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.572 ' CE3' HD12 ' A' ' 33' ' ' ILE . 25.7 m95 -91.35 -0.78 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.57 -43.98 58.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.686 HD21 ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -50.83 -24.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.643 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 2.8 mp -71.95 -45.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.483 ' CB ' ' HA2' ' A' ' 42' ' ' GLY . . . -101.49 22.72 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -117.45 -32.98 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.686 ' CD2' HD21 ' A' ' 32' ' ' LEU . 6.3 m170 -84.9 -12.87 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.599 HD11 ' CZ3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -141.18 115.7 9.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.91 157.05 17.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.27 51.57 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER 170.45 158.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.13 137.92 33.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.483 ' HA2' ' CB ' ' A' ' 34' ' ' ALA . . . -68.01 -10.41 58.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.59 -147.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER 34.14 59.99 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 2.9 p -114.85 170.77 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.336 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.508 ' HB3' ' CD2' ' A' ' 50' ' ' HIS . 4.3 ptt180 35.15 88.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.7 38.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.51 -47.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.586 ' CZ3' HG13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -117.77 -8.15 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 108.016 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 25.3 t-80 -95.41 -40.25 9.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.623 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.3 m95 -62.94 173.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 p -130.07 -157.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mt-10 -81.68 -80.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -45.29 -33.51 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.7 mt-10 -66.11 -38.71 88.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -61.23 -53.51 55.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 69' ' ' ILE . 15.6 mmm180 -56.59 -64.87 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.528 ' C ' ' O ' ' A' ' 68' ' ' ARG . 87.1 mt -30.87 -46.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -58.5 -62.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.676 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -56.88 -56.1 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -56.53 -16.53 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 69' ' ' ILE . . . -93.99 -39.69 10.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.799 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.1 t-80 -62.32 -13.41 28.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.577 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.23 15.3 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.5 t -120.15 -38.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -122.0 -70.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.799 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 149.55 -119.93 1.1 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.56 21.53 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.488 ' CD ' ' HB3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.6 55.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.68 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -51.63 -35.61 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.52 -24.36 55.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.488 ' HB3' ' CD ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -100.31 -36.79 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.519 ' CG2' HG13 ' A' ' 96' ' ' VAL . 3.8 mm -53.54 -51.34 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.95 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 1.85 28.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.43 159.99 30.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.32 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -151.64 -142.55 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' GLY . 29.4 mmt180 55.52 164.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 45.5 p -122.02 -64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.413 ' N ' ' OG1' ' A' ' 92' ' ' THR . 2.1 p-10 -176.43 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -14.16 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.31 -64.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.519 HG13 ' CG2' ' A' ' 84' ' ' ILE . 92.4 t -54.33 -58.04 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.636 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -38.9 -61.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.7 t-20 -59.18 -54.85 42.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.623 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 11.7 t60 -44.33 -28.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.548 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.672 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 7.2 t-105 -62.37 -67.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.8 m-80 -71.93 -2.81 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.538 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 63.4 m -73.32 -80.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -116.0 -15.4 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.672 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 9.8 mt -88.86 32.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 14.7 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.505 ' C ' ' H ' ' A' ' 8' ' ' GLY . 66.8 t -97.97 -26.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 23.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.7 70.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.59 6.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.663 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m0 -75.51 169.43 18.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.464 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.6 p -152.01 -172.98 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 tptt -49.51 -31.05 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -50.53 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 17.2 mp0 -50.87 -39.88 54.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.43 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 74.7 m-20 -63.12 -29.9 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -67.9 -26.97 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 17.5 tttt -65.56 -51.42 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.614 HG12 ' CG2' ' A' ' 33' ' ' ILE . 9.8 t -51.28 -56.1 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.513 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -54.08 -30.54 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.38 -24.23 32.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.535 HD21 ' CE1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -70.79 -43.43 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.621 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 45.6 t -70.55 -37.12 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -16.66 62.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.32 -23.62 12.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.637 ' CD2' ' NE2' ' A' ' 29' ' ' GLN . 4.4 m-30 -87.92 -57.28 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 41.74 101.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 174.45 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.391 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER 168.93 54.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.637 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 19.7 mt-30 -114.08 98.96 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.506 ' CH2' ' HA ' ' A' ' 46' ' ' ARG . 33.7 m95 -112.77 -6.11 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.062 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -84.48 -49.08 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.427 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.677 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -50.85 -23.49 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.614 ' CG2' HG12 ' A' ' 18' ' ' VAL . 2.3 mp -70.91 -45.23 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.18 18.71 16.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.73 -31.62 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.677 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 7.9 m170 -85.36 -51.9 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.663 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 5.9 mt -84.39 86.28 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -160.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -50.87 4.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.72 -178.55 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -72.55 149.99 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.57 144.69 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 80.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER 63.4 78.51 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.3 p -51.37 136.8 24.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.506 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 45.9 mtm-85 43.33 87.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -164.62 126.98 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 9.2 ttm-85 80.91 -3.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.621 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 7.0 m0 -129.5 -67.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.018 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -56.94 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.661 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.62 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 80.8 m95 -63.22 176.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.504 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -129.21 -166.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.25 -78.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.23 -27.16 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 20.7 mt-10 -72.33 -41.01 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.09 -50.89 72.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 69' ' ' ILE . 10.5 mtp180 -57.6 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' ARG . 76.1 mt -33.56 -38.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -68.14 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.31 -53.46 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 5.7 pt-20 -54.24 -47.23 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 72' ' ' GLU . . . -61.51 -40.25 93.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.78 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.0 t-80 -65.73 -13.58 59.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.581 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.55 7.14 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 4.7 t -118.25 -47.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.444 HD11 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -104.6 -76.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.86 -128.15 1.99 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 22.67 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.495 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.18 57.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.78 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -51.91 -34.74 42.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.5 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -102.57 -30.15 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.519 ' CG2' HG13 ' A' ' 96' ' ' VAL . 7.1 mm -57.87 -48.48 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -66.04 -40.02 90.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -29.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -44.15 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 mm? -95.93 113.17 61.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.15 -52.28 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.7 mmt-85 -85.54 152.05 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.5 p -110.61 -163.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.425 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -74.29 -64.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -42.14 -30.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 93' ' ' ASP . . . -69.51 -65.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.519 HG13 ' CG2' ' A' ' 84' ' ' ILE . 93.5 t -57.02 -59.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.1 ttpp -36.63 -59.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' SER . 7.6 t-20 -58.08 -56.98 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.62 ' CG ' ' NE1' ' A' ' 62' ' ' TRP . 5.7 t60 -44.02 -27.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.584 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 5.0 t-105 -63.36 -70.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.036 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.451 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 70.7 m-80 -68.66 -4.02 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.485 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.6 m -71.78 -81.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -121.56 -12.68 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.584 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.1 mt -92.82 34.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 8.5 mmtt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.5 ' CG1' ' H ' ' A' ' 7' ' ' LYS . 11.7 t -92.1 -130.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.49 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.19 80.62 0.78 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 123.81 8.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.686 ' CE3' HD21 ' A' ' 37' ' ' LEU . 8.1 m0 -73.91 139.85 45.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.8 p -129.06 -164.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.366 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -42.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.13 -55.46 3.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.517 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -53.01 -43.71 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.469 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 1.1 m-20 -62.89 -43.73 97.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -52.3 -24.54 7.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 8.9 tttm -71.46 -51.49 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.509 ' CG1' HG13 ' A' ' 33' ' ' ILE . 1.8 t -47.55 -35.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.566 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -66.08 -47.06 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.29 -37.98 89.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.541 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 3.0 mt -67.06 -46.26 74.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.574 HG12 ' CZ3' ' A' ' 49' ' ' TRP . 75.1 t -66.56 -15.01 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.07 -43.99 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -24.69 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.736 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 5.0 m-85 -85.42 -56.66 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.572 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 131.43 -108.71 0.82 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.572 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -179.42 55.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -132.66 -40.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 1.5 mp0 -73.41 -66.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.442 ' CD2' ' HB2' ' A' ' 45' ' ' CYS . 48.6 m95 68.73 4.69 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -79.28 -38.57 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.736 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 1.1 pp -54.44 -50.94 66.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' A' ' 32' ' ' LEU . 4.8 mp -46.37 -79.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . . . -45.89 -45.35 15.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 31' ' ' THR . 8.7 ttmt -56.65 -35.64 68.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.0 m170 -84.06 -66.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.686 HD21 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -86.22 60.77 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -66.51 -168.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 113.6 -42.06 2.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.66 34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' ALA . 3.0 mm? -92.06 -172.45 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.77 5.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.35 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 73.85 5.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 21.1 p -127.47 164.41 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 37.46 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -178.62 -40.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -20.99 23.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CZ3' HG12 ' A' ' 22' ' ' VAL . 2.3 m0 -92.05 -43.25 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -62.42 -104.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.73 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.59 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 71.1 m95 -62.56 176.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.2 -166.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -74.45 -78.61 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.97 -34.62 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 22.5 mt-10 -65.47 -38.61 90.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.9 t70 -60.46 -52.6 64.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' ILE . 18.1 mmm180 -59.17 -61.41 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 77.9 mt -36.5 -50.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -57.07 -67.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -51.15 -19.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -80.2 -62.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.432 ' CB ' HD11 ' A' ' 84' ' ' ILE . . . -50.96 -36.39 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.731 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 13.8 t-80 -61.87 -14.25 32.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.57 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -121.55 -40.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.77 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.731 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 155.76 -119.54 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 22.12 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 56.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.6 m95 -52.52 -36.67 55.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.45 -23.39 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -101.91 -33.95 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.492 ' CG2' HG13 ' A' ' 96' ' ' VAL . 5.8 mm -52.94 -50.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.52 -45.31 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.05 -29.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -76.02 -50.7 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.2 mt -94.62 118.26 66.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.58 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.78 -23.08 0.62 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.494 ' HG3' ' CH2' ' A' ' 62' ' ' TRP . 21.6 mmt180 -108.06 170.76 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 40.7 p -123.37 -65.56 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.435 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -172.42 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -14.33 29.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -77.06 -68.05 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.492 HG13 ' CG2' ' A' ' 84' ' ' ILE . 67.0 t -56.03 -54.48 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.3 ttpp -40.79 -61.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -55.54 -53.52 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.595 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 4.7 t60 -45.18 -26.43 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.605 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 1.7 t-105 -64.27 -68.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.456 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.1 m-80 -68.95 -3.33 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.2 m -72.84 -81.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.32 -13.64 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.605 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.7 mt -89.95 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 16.1 mmmt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' A' ' 8' ' ' GLY . 65.1 t -74.99 -30.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.81 17.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.75 65.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.23 37.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.621 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 11.0 m95 -72.46 157.53 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.499 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.9 p -152.95 174.31 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.53 -31.11 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -63.5 -15.32 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' CD ' ' C ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -89.01 -42.92 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.533 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 10.5 pt20 -85.66 -42.39 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.5 ttmm -72.4 -51.75 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.508 HG12 ' CG2' ' A' ' 33' ' ' ILE . 3.0 t -55.85 -40.16 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.658 ' HA ' ' HH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -61.52 -53.06 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -17.6 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.543 ' CB ' HD22 ' A' ' 32' ' ' LEU . 1.3 mt -90.34 -48.41 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.552 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 59.6 t -50.09 -23.77 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 13.3 ptpt -91.58 -43.82 9.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -70.38 -11.79 61.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 3.3 m-85 -108.68 -49.54 3.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.82 -1.23 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 1.2 m 82.08 26.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 -67.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' HD11 ' A' ' 32' ' ' LEU . 2.8 mt-30 -74.39 83.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' CG ' ' A' ' 46' ' ' ARG . 27.9 m95 -67.59 -7.03 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -72.28 -42.25 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.689 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -51.45 -25.31 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 2.8 mp -71.94 -41.85 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.72 23.69 12.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -118.97 -32.8 4.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.689 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 6.0 m170 -84.19 -21.6 31.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.574 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.621 ' HB2' ' CH2' ' A' ' 10' ' ' TRP . 3.3 mm? -102.43 96.73 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 109.66 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 173.32 -30.95 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 79.68 60.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 3.0 mm? -86.47 -175.97 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.44 44.22 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -128.78 -74.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -70.69 61.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.6 p -100.15 140.83 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.586 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 50.4 mtt180 65.44 87.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -165.87 67.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -179.72 -42.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.658 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -109.98 -22.18 11.96 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.87 -72.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.727 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 22.5 m95 -65.16 -176.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 67' ' ' ASP . 7.5 m -157.38 -133.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 mt-10 -95.05 -77.05 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -40.09 -66.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.475 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 1.5 mt-10 -46.78 -29.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 6.6 t0 -63.82 -59.24 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' GLU . 53.1 mtp180 -57.64 -54.48 46.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ARG . 96.9 mt -38.8 -50.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -55.86 -69.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -50.38 -20.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -77.17 -44.2 31.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.435 ' CB ' HG13 ' A' ' 84' ' ' ILE . . . -73.7 -35.89 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.744 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.8 t-80 -65.83 -14.39 61.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -103.66 16.31 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 6.5 t -125.88 -41.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.514 HD12 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -113.27 -77.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.744 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.99 -123.7 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 21.46 3.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.54 56.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.684 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.2 m95 -51.54 -34.62 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 108.032 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.76 -26.61 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.514 ' CG ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -110.41 -19.73 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.574 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -69.62 -47.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -62.61 -24.89 67.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.09 1.22 24.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 70' ' ' ILE . 25.3 mt -113.28 160.79 30.0 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.34 11.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -170.04 -135.34 1.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 90' ' ' GLY . 18.3 mmt180 55.35 165.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -119.89 -177.47 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -72.33 -43.67 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -14.25 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.42 -63.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 84' ' ' ILE . 57.6 t -59.89 -51.64 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 9.7 ttpp -43.43 -56.71 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -62.17 -36.76 82.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.618 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 9.6 t60 -61.2 -25.79 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.583 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 0.6 OUTLIER -64.8 -45.48 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.508 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 54.4 m-80 -89.96 1.47 56.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.519 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 28.8 t -75.39 -84.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.14 -7.13 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.618 ' CD1' ' CD2' ' A' ' 99' ' ' HIS . 7.3 mt -87.27 38.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 21.3 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.478 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 8' ' ' GLY . 2.7 t -121.72 -143.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.492 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 38.39 28.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.51 78.59 0.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.64 7.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.649 ' CE3' HD21 ' A' ' 37' ' ' LEU . 7.6 m0 -72.34 148.8 44.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.9 p -135.36 -167.79 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -40.32 -58.91 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -41.34 -56.97 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.7 mp0 -52.83 -44.92 67.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -62.2 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.571 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -53.93 -23.21 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.8 tttm -69.76 -53.46 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.531 HG12 ' CG1' ' A' ' 33' ' ' ILE . 2.2 t -45.77 -49.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.565 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -58.47 -37.7 65.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -76.65 -15.64 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.501 HD21 ' CZ ' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -85.1 -59.95 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.481 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 2.7 t -57.49 -24.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -73.19 -56.16 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -68.73 -20.8 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.71 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 3.9 m-30 -85.11 -58.6 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.22 96.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -178.45 -59.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER 166.58 54.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.558 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 31.3 mt-30 -120.28 97.15 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CZ2' ' CG ' ' A' ' 46' ' ' ARG . 35.5 m95 -113.91 -7.65 13.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.997 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -76.13 -39.98 53.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.71 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -52.97 -51.63 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.531 ' CG1' HG12 ' A' ' 18' ' ' VAL . 4.8 mp -43.09 -47.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.62 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.5 ttpt -74.02 -37.89 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.5 m-70 -84.48 -59.3 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.649 HD21 ' CE3' ' A' ' 10' ' ' TRP . 1.3 mt -87.88 76.41 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.94 -163.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.478 ' HA3' ' CD2' ' A' ' 5' ' ' LEU . . . 87.5 -33.68 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -174.9 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.2 mm? -69.95 141.34 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -35.72 129.76 0.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' GLN . 4.5 tptp -44.42 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.1 mp0 38.55 77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 26.6 p -48.47 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.621 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 6.0 mtp180 77.53 117.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER 165.6 -29.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -42.45 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -110.1 -23.35 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -40.51 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.699 ' N ' HD21 ' A' ' 51' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 91' ' ' ARG . 80.6 m95 -101.69 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 p -138.22 -167.75 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' ASP . 9.8 mt-10 -74.23 -73.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.6 mt-10 -46.02 -42.23 13.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -60.56 -23.17 64.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -78.88 -62.47 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 10.6 ptp180 -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 72' ' ' GLU . 31.4 mt -56.52 -76.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.1 mt -43.13 -45.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 3.7 t80 -48.34 -36.36 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 5.6 pt-20 -97.33 -34.55 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.498 ' HB2' ' CD1' ' A' ' 84' ' ' ILE . . . -54.33 -19.29 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.915 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 7.6 t-80 -87.15 -21.73 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -99.12 11.77 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 3.9 t -115.09 -18.35 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 -61.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.721 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 146.51 -65.48 0.42 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.507 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -158.09 24.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -70.87 60.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.915 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 19.0 m95 -51.75 -36.0 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.91 60.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' ARG . 17.6 mm-40 -104.28 -27.13 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.584 ' CG2' HG13 ' A' ' 96' ' ' VAL . 6.1 mm -61.89 -40.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -75.01 -26.89 59.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 7.2 mttt -56.68 -40.66 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.62 -2.94 28.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.43 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 81.9 mt -117.88 161.53 33.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.97 3.28 5.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.538 1.809 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.97 -133.4 2.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.598 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 58.8 mmt-85 73.0 2.69 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 80.7 p 36.74 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -27.19 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.16 -16.92 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 91' ' ' ARG . . . -89.52 -56.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.584 HG13 ' CG2' ' A' ' 84' ' ' ILE . 61.8 t -54.81 -52.68 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.599 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -51.13 -55.81 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.7 t-20 -59.86 -54.18 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.575 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 6.2 t60 -43.62 -28.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.599 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 3.4 t-105 -61.78 -68.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.005 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.473 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.2 m-80 -70.41 -4.14 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.534 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.3 t -71.34 -78.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.87 -12.65 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.599 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.8 mt -91.62 34.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 2.5 mmmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.537 ' HA ' ' CG ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.552 ' H ' ' HG3' ' A' ' 9' ' ' PRO . 32.4 t -82.88 -100.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.541 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -101.1 26.88 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.569 ' H ' ' HD3' ' A' ' 9' ' ' PRO . . . 99.1 64.66 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HD3' ' H ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.0 138.82 23.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.552 ' C ' ' HB3' ' A' ' 14' ' ' GLU . 28.4 m95 -112.7 -85.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.038 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.768 ' O ' ' N ' ' A' ' 14' ' ' GLU . 1.1 p 69.76 157.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttp -32.52 -38.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.635 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 2.3 tt0 -54.66 -28.81 49.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.768 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -67.86 -44.76 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.605 ' O ' HD11 ' A' ' 19' ' ' ILE . 12.9 m-20 -70.35 -65.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.635 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.95 -24.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.536 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 9.7 mttt -71.94 -81.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.593 ' CG1' HG13 ' A' ' 33' ' ' ILE . 49.8 t -48.76 -23.22 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.631 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -76.73 -76.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.04 -13.9 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.647 ' CD2' HD22 ' A' ' 32' ' ' LEU . 20.9 mt -84.1 -78.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.611 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 55.9 t -42.24 -26.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.7 mmtp -71.62 -54.2 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -75.83 -11.47 59.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 26' ' ' GLY . 2.8 m-85 -96.44 -59.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.24 99.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -178.04 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.6 tmtt? 166.62 41.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -104.63 73.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.525 ' CZ3' ' HA ' ' A' ' 46' ' ' ARG . 76.0 m95 -70.17 -18.82 63.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -65.97 -29.27 69.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.718 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.36 -20.6 64.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.593 HG13 ' CG1' ' A' ' 18' ' ' VAL . 3.0 mp -78.03 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 37' ' ' LEU . . . -66.35 -32.39 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' THR . 5.2 ttmm -64.84 -35.41 81.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 5.1 m-70 -102.39 29.08 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.541 ' CD2' ' HB2' ' A' ' 14' ' ' GLU . 46.2 mt -153.25 133.39 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 81.47 164.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.48 ' HA2' ' CD2' ' A' ' 5' ' ' LEU . . . -49.06 -22.29 3.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.3 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.32 -104.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . 103.04 23.05 8.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -38.14 -32.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mt-30 -71.11 80.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' ARG . 60.9 m -111.76 -175.44 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HA ' ' CZ3' ' A' ' 30' ' ' TRP . 55.5 mtt180 38.13 51.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.24 49.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -150.09 -47.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.611 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -115.64 -36.65 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.143 . . . . 0.0 108.037 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -51.22 -58.47 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 3.8 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.611 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 60.5 m95 -64.23 173.49 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.1 p -131.28 -155.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.5 mm-40 -81.78 -82.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -34.6 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 31.7 mt-10 -64.17 -37.46 87.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t0 -66.57 -52.02 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -55.84 -60.52 3.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.6 mt -36.6 -49.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 96' ' ' VAL . 1.1 mm -52.98 -62.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 4.7 t80 -62.74 -14.99 51.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.537 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -87.71 -12.61 44.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 84' ' ' ILE . . . -109.18 -33.61 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.745 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 16.3 t-80 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 14.95 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.7 t -121.16 -40.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.78 -73.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.745 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 157.99 -122.81 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.17 23.84 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -71.67 57.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.685 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.7 m95 -52.67 -36.3 56.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.38 -22.47 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 80' ' ' ARG . 25.1 mm-40 -102.59 -30.54 10.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.532 ' CG2' HG13 ' A' ' 96' ' ' VAL . 4.6 mm -59.61 -48.78 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -64.15 -34.06 77.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 4.5 mmtp -56.66 -37.99 71.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.405 ' CD1' ' O ' ' A' ' 83' ' ' GLU . 9.2 mp -74.51 -14.53 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -94.99 166.19 15.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 2.83 6.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.23 104.95 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.2 mmt180 -154.17 22.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 6.4 p 45.69 -174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -98.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.34 -30.21 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 91' ' ' ARG . . . -67.7 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.532 HG13 ' CG2' ' A' ' 84' ' ' ILE . 89.1 t -53.39 -54.69 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.65 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -43.35 -64.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.9 t-20 -56.92 -51.67 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.611 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 6.0 t60 -44.82 -26.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.612 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.6 t-105 -63.81 -69.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.447 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.9 m-80 -67.82 -4.85 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 66.9 m -71.3 -79.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -122.39 -13.58 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.612 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.9 mt -92.05 35.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 5.0 mmtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.491 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.518 ' H ' ' CG ' ' A' ' 9' ' ' PRO . 98.6 t -69.74 -105.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -84.01 35.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.685 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 79.67 47.85 7.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.685 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.625 ' CE3' HD11 ' A' ' 37' ' ' LEU . 11.8 m95 -115.93 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.54 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 1.2 p 70.11 -166.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -73.22 -18.59 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.64 -62.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.515 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -52.46 -22.09 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' HD11 ' A' ' 19' ' ' ILE . 14.2 m-20 -89.95 -22.7 21.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -81.57 -26.51 34.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -82.43 -54.44 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 37' ' ' LEU . 2.2 t -57.09 -29.98 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.607 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -72.82 -66.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.507 ' HA ' ' CG ' ' A' ' 23' ' ' LYS . 3.0 tt0 -51.84 -20.17 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.454 ' CD1' ' ND1' ' A' ' 36' ' ' HIS . 10.4 mt -86.88 -50.75 6.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.582 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 2.4 t -56.1 -38.85 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -73.19 -38.24 66.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -72.73 -21.8 60.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.618 ' CD2' HD22 ' A' ' 32' ' ' LEU . 3.3 m-85 -94.61 -50.54 5.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 126.42 1.27 7.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.492 ' CG2' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER 75.28 53.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 0.77 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -128.58 -62.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.56 78.27 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.495 ' CE3' HD12 ' A' ' 33' ' ' ILE . 54.3 m95 -63.36 -14.64 52.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.15 70.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -50.63 -49.08 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.495 HD12 ' CE3' ' A' ' 30' ' ' TRP . 4.1 mp -52.32 -38.67 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.47 12.76 32.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.68 -40.85 3.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.454 ' ND1' ' CD1' ' A' ' 21' ' ' LEU . 8.4 m-70 -83.47 -16.43 45.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.625 HD11 ' CE3' ' A' ' 10' ' ' TRP . 5.9 mt -125.78 69.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -86.29 44.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.491 ' HA3' ' CD2' ' A' ' 5' ' ' LEU . . . -84.42 -32.24 22.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 ttt180 -170.83 78.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.554 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.29 97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.27 41.5 2.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -67.95 -23.42 65.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.05 77.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' LYS . 23.3 p -79.76 167.05 21.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' CYS . 75.4 mtm180 36.22 90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HA ' ' ND2' ' A' ' 51' ' ' ASN . 33.5 tt0 -162.77 133.62 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 7.9 mmt85 66.2 19.39 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.607 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 1.2 t90 -140.27 -48.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER -98.46 -88.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.651 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 61' ' ' SER . 8.5 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.607 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 76.9 m95 -103.87 -170.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 108.04 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -137.99 -159.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.3 mt-10 -79.65 -77.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.81 -33.17 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.8 -34.85 78.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.5 t70 -69.87 -55.39 9.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ILE . 8.0 mtp180 -59.17 -61.77 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' GLU . 74.6 mt -39.77 -73.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.8 mt -45.8 -53.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 3.7 t80 -54.4 -14.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -104.75 -43.95 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -49.97 -40.77 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.786 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.4 t-80 -61.77 -13.22 21.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.553 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.96 15.64 28.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -120.64 -39.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.786 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.92 -125.94 1.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.09 24.09 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 56.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.754 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.4 m95 -52.15 -36.45 51.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.82 -27.35 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.65 -34.83 10.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.481 ' CG2' HG13 ' A' ' 96' ' ' VAL . 5.2 mm -54.0 -52.17 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -62.84 -48.88 77.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -48.99 -27.59 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -36.21 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ALA . 20.4 mt -114.24 108.67 49.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 118.26 5.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.465 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . 144.56 -35.06 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.544 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 68.3 mmt-85 -120.08 157.02 29.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 0.744 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 p -103.84 -172.29 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -65.35 -65.42 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -29.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 93' ' ' ASP . . . -69.5 -64.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.481 HG13 ' CG2' ' A' ' 84' ' ' ILE . 55.5 t -56.99 -56.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.61 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.1 ttpp -39.61 -58.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.6 t-20 -60.56 -39.81 89.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.607 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.2 t60 -55.15 -17.8 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.666 ' CZ2' ' CG ' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -73.08 -49.44 28.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -87.92 -5.6 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.489 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 48.7 m -71.7 -79.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -129.96 -10.64 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.578 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 2.2 mm -90.51 31.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.47 HD21 ' CA ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 8' ' ' GLY . 7.5 t -86.67 93.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.83 19.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 95.01 83.97 1.64 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HG3' ' HA ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.99 111.22 3.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.724 ' CZ3' ' CD1' ' A' ' 37' ' ' LEU . 9.7 m0 -113.55 165.78 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' GLU . 71.3 p -154.71 172.94 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.8 tttt -39.81 -32.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.35 -51.05 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.526 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -54.1 -19.6 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.461 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -92.47 -28.55 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 4.6 pt20 -78.57 -30.15 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.17 -54.27 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.526 ' CG2' HG13 ' A' ' 33' ' ' ILE . 2.6 t -58.12 -24.37 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -71.91 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 5.7 pt-20 -49.65 -22.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 33.0 mt -78.03 -61.7 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.537 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 2.6 t -56.16 -18.73 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -77.72 -51.28 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -19.22 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.706 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.3 m-85 -93.71 -53.71 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.556 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 142.24 -99.9 0.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.607 ' C ' ' CE1' ' A' ' 50' ' ' HIS . 0.1 OUTLIER -178.37 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 0.807 . . . . 0.0 110.355 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.26 19.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 31' ' ' THR . 33.8 mt-30 -125.17 60.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.693 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 12.1 m95 -54.99 -19.65 7.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.041 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -56.49 -47.54 79.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.738 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -54.38 -19.59 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.526 HG13 ' CG2' ' A' ' 18' ' ' VAL . 4.6 mp -90.14 -43.64 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.73 19.96 9.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 31' ' ' THR . 3.5 ttmm -122.06 -40.07 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.738 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 4.9 m-70 -82.93 -8.53 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.724 ' CD1' ' CZ3' ' A' ' 10' ' ' TRP . 0.9 OUTLIER -136.65 95.41 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.73 77.56 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.47 ' CA ' HD21 ' A' ' 5' ' ' LEU . . . -152.54 -39.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' HB2' ' NE1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -127.81 -170.48 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.7 -173.5 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.442 ' C ' ' CE3' ' A' ' 30' ' ' TRP . . . -148.69 84.65 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' N ' ' CZ3' ' A' ' 30' ' ' TRP . 7.2 tmtt? -169.3 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -96.46 85.45 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -163.52 -89.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.693 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -81.85 81.61 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.76 -49.94 7.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.3 44.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.578 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 10.9 t90 -155.92 -47.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.607 ' CE1' ' C ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.584 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' HD21 ' A' ' 51' ' ' ASN . 1.3 m-80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.682 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 43.2 m95 -63.67 177.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 p -141.93 -155.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mt-10 -81.25 -83.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -25.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.478 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 6.7 mt-10 -72.11 -44.73 62.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLU . 7.8 t0 -60.37 -50.59 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ILE . 22.0 mmm180 -54.38 -65.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' ARG . 68.8 mt -36.66 -43.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -61.68 -70.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -45.47 -26.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 75' ' ' LYS . 5.7 mt-10 -78.81 -73.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.41 -25.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.763 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.1 t-80 -67.05 -46.2 75.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.565 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.9 pttt -82.41 6.04 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.4 t -114.87 -13.93 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.523 ' CB ' ' HB2' ' A' ' 80' ' ' ARG . 1.6 mt -127.85 -48.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.5 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 97.12 95.07 1.89 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 44.02 22.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.24 49.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.763 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 8.9 m95 -45.61 -34.38 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 108.024 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.88 -23.66 19.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ARG . 14.3 mm-40 -115.76 -45.99 2.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.5 ' HB ' ' HA ' ' A' ' 81' ' ' TRP . 1.0 OUTLIER -42.62 -33.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -79.5 -44.04 22.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' GLU . 12.0 mtpt -50.92 -24.21 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -35.82 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.3 mp -107.42 114.96 60.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.58 5.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.89 1.93 23.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -132.83 125.67 30.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.2 p -88.29 -174.48 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 12.8 p-10 -72.56 -31.12 65.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -17.06 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -61.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.496 HG13 ' CG2' ' A' ' 84' ' ' ILE . 42.4 t -65.21 -59.78 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.595 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 12.0 ttpp -34.52 -43.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 8.2 t-20 -73.55 -58.15 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 6.0 t60 -44.84 -27.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.587 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 4.0 t-105 -63.34 -68.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.414 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.2 m-80 -69.75 -3.55 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.495 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 71.1 m -72.17 -81.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -121.69 -13.05 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.587 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.5 mt -91.81 34.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.1 mmmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 8' ' ' GLY . 3.7 t -95.77 -133.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.44 29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.94 79.55 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.93 18.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.666 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.1 m0 -85.07 157.53 20.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 14' ' ' GLU . 31.7 p -147.66 -164.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -39.27 -54.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -44.76 -40.57 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.666 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -57.5 -48.03 80.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.505 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -61.19 -43.82 98.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -55.49 -21.61 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -70.83 -58.78 3.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' CG2' ' A' ' 33' ' ' ILE . 41.8 t -44.59 -32.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.63 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -71.12 -51.7 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -25.53 67.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -74.44 -63.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 26' ' ' GLY . 77.3 t -47.85 -21.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -75.62 -47.13 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -3.54 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 3.2 m-85 -108.53 -53.55 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.56 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 117.11 -92.63 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.56 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -179.89 36.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.791 . . . . 0.0 110.426 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -34.72 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.415 ' O ' HD11 ' A' ' 32' ' ' LEU . 22.9 mt-30 -109.61 70.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.417 ' HA ' HD11 ' A' ' 33' ' ' ILE . 58.3 m95 -62.9 -11.6 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.575 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.18 -43.52 77.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.761 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -52.27 -25.62 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.578 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 1.9 mp -75.21 -42.81 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.46 16.82 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -116.37 -24.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.761 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 9.0 m170 -89.73 -49.35 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 14' ' ' GLU . 3.4 mt -83.96 80.76 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -74.5 -165.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.63 -51.86 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.6 -175.88 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.18 177.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.37 -122.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.67 72.23 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 65.28 100.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.0 p -79.91 121.44 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 63.29 88.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -171.17 44.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.42 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.477 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.57 -31.57 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.032 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.85 -42.27 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.706 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 45.1 m95 -61.02 172.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.0 p -134.5 -156.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mm-40 -78.37 -81.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.05 -37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 20.7 mt-10 -61.98 -41.03 97.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -59.37 -54.79 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.2 mmp_? -54.92 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 68' ' ' ARG . 84.6 mt -33.78 -50.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.448 ' CD1' HG12 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -54.31 -65.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.592 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -61.08 -13.16 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -94.18 -12.95 27.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.477 ' CB ' HD11 ' A' ' 84' ' ' ILE . . . -111.83 -18.06 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.864 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 30.1 t-80 -76.0 -24.4 55.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 11.7 33.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -112.33 -24.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' CB ' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -122.15 -60.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.646 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.3 -54.92 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -161.34 24.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.435 ' CG ' ' HG3' ' A' ' 83' ' ' GLU . 3.2 mpt_? -71.87 61.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.864 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 15.6 m95 -55.17 -37.13 66.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.12 -16.51 13.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 3.6 mt-10 -109.83 -40.59 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.518 ' CG2' HG13 ' A' ' 96' ' ' VAL . 5.7 mm -47.24 -40.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.56 -38.11 88.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 38.0 mttt -50.53 -21.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.66 -31.0 18.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.4 mm? -93.65 159.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 83.11 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.9 98.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.574 ' HD2' ' CH2' ' A' ' 62' ' ' TRP . 30.2 mmt180 -146.2 16.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' ARG . 22.4 p 36.65 -105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.95 -46.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.75 -14.99 24.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.94 -67.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.518 HG13 ' CG2' ' A' ' 84' ' ' ILE . 92.9 t -56.39 -58.96 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.8 ttpp -38.44 -59.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.64 -40.13 86.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.706 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 3.4 t60 -59.48 -25.16 64.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.661 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 1.6 t-105 -66.81 -47.93 70.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.031 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.444 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 58.9 m-80 -87.83 1.19 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 47.7 m -76.7 -77.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.21 -8.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.661 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 9.1 mt -98.14 39.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.536 ' HD3' ' C ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.45 ' CA ' ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 7' ' ' LYS . 24.2 t -71.52 -99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.529 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.0 34.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.0 49.33 7.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.656 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.632 ' CH2' ' CB ' ' A' ' 37' ' ' LEU . 10.6 m0 -113.17 164.97 12.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.4 p -153.03 170.85 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 3.5 tttt -42.56 -32.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.656 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.92 -44.87 94.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -56.57 -40.21 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 17' ' ' LYS . 2.2 m-20 -73.86 -68.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.656 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.47 -24.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' C ' ' N ' ' A' ' 19' ' ' ILE . 16.2 mttt -70.35 -80.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 33' ' ' ILE . 39.2 t -41.88 -26.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.539 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -72.53 -82.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 4.0 mt-10 -52.64 -18.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.52 ' CD1' ' ND1' ' A' ' 36' ' ' HIS . 77.9 mt -76.52 -65.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.517 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 2.1 t -49.57 -24.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -34.64 50.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 21' ' ' LEU . 4.1 ttpt -93.85 -5.38 48.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.717 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 4.0 m-85 -111.43 -52.3 2.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.55 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 120.78 -106.68 1.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.55 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.14 54.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.392 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.27 -40.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.574 ' OE1' ' CD2' ' A' ' 25' ' ' TYR . 4.8 mt-30 -74.83 -66.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 46' ' ' ARG . 37.5 m95 68.64 -0.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -76.3 -39.06 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.717 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -52.46 -46.97 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.499 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 4.6 mp -54.46 -38.09 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . -94.68 10.48 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -117.91 -42.23 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.52 ' ND1' ' CD1' ' A' ' 21' ' ' LEU . 7.7 m-70 -84.22 1.86 42.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.632 ' CB ' ' CH2' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -141.05 142.75 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 79.8 139.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.48 0.18 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -170.03 -52.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 3.3 mm? -63.89 -169.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.496 ' HA3' ' CB ' ' A' ' 34' ' ' ALA . . . -172.67 30.94 0.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.89 -29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.8 tt0 -82.89 56.45 3.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -89.55 164.08 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.57 ' HG2' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 36.32 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.64 54.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.5 -44.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.539 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -121.53 -8.0 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -80.77 -54.48 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 2.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.581 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 71.8 m95 -62.8 175.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 -166.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mt-10 -75.13 -79.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.43 -33.21 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.8 mt-10 -66.64 -40.98 88.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 10.5 t0 -60.34 -53.16 60.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ILE . 28.1 mmm-85 -54.87 -61.73 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.475 HG23 ' CD2' ' A' ' 88' ' ' LEU . 68.6 mt -37.67 -43.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -63.36 -68.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -49.47 -20.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -82.05 -69.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.475 ' N ' ' CG ' ' A' ' 72' ' ' GLU . . . -48.39 -37.85 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 32.0 t-80 -59.12 -29.37 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.571 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.5 pttt -93.62 11.03 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 t -117.9 -20.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.484 ' CD2' ' HG2' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -123.77 -63.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.609 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.8 -57.62 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.78 23.91 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.85 59.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -52.91 -36.21 59.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.85 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.499 ' CG ' ' HB3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -105.26 -30.12 9.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.595 ' CG2' HG13 ' A' ' 96' ' ' VAL . 8.2 mm -54.35 -49.1 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -62.78 -35.65 80.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.18 -18.85 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -93.23 16.69 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.501 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -138.11 179.34 1.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.49 112.91 1.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.477 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -153.12 21.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.322 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 25.0 p 43.3 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.11 -46.67 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.8 OUTLIER -50.83 -32.64 20.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 91' ' ' ARG . . . -66.59 -64.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.595 HG13 ' CG2' ' A' ' 84' ' ' ILE . 73.9 t -54.95 -62.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.3 ttpp -38.24 -58.08 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 94' ' ' ASN . 18.5 t-20 -58.15 -54.56 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 5.6 t60 -44.9 -26.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.602 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.6 t-105 -64.23 -68.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.96 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.4 m-80 -69.23 -3.43 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.486 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.4 m -72.4 -80.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.09 -13.37 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.7 mt -90.29 30.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.463 ' C ' HG21 ' A' ' 6' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.463 HG21 ' C ' ' A' ' 5' ' ' LEU . 4.9 t -132.03 -43.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 6.69 10.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 179.26 61.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.01 165.47 31.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.691 ' CE3' ' CD2' ' A' ' 37' ' ' LEU . 11.9 m0 -53.5 150.13 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' LYS . 43.9 p -133.7 -166.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -37.37 -60.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -41.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.617 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -51.33 -37.76 49.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 14.6 m-20 -64.06 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -60.74 -31.51 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.547 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 27.9 tttt -68.58 -46.16 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG12 ' CG2' ' A' ' 33' ' ' ILE . 2.1 t -49.1 -53.62 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.59 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -55.26 -33.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -20.33 63.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.511 HD21 ' CE1' ' A' ' 25' ' ' TYR . 1.3 mt -83.72 -63.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.9 t -48.75 -24.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 -63.5 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -12.71 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.723 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 4.3 m-30 -94.72 -56.16 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 51.19 102.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.56 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.6 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.383 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 29' ' ' GLN . 2.9 ttmt -179.82 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.461 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 3.1 mt-30 40.39 42.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -64.64 -13.24 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -78.97 -42.42 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.723 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -54.04 -53.85 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.577 ' CG2' HG12 ' A' ' 18' ' ' VAL . 4.4 mp -38.79 -72.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . . . -60.18 -57.91 10.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -42.42 -27.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.582 ' CD2' HD11 ' A' ' 32' ' ' LEU . 8.8 m-70 -86.37 -52.94 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.691 ' CD2' ' CE3' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -102.22 98.72 8.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -106.29 -168.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.0 26.26 69.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER 170.92 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.271 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.502 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 32.7 93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 34' ' ' ALA . . . -68.72 55.73 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -125.5 -138.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' LYS . 6.6 tm0? 34.42 35.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -113.05 -36.21 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -34.08 -40.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.2 60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.73 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.94 -15.43 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.03 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -107.15 -31.04 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 109.57 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.612 ' N ' HD21 ' A' ' 51' ' ' ASN . 1.2 m-80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.65 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 52.2 m95 -63.39 172.39 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 78.0 p -132.97 -158.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.7 mm-40 -77.76 -79.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -40.62 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 1.3 mm-40 -60.55 -37.63 81.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.2 t70 -62.29 -50.92 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.8 mmp_? -60.76 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' ARG . 81.2 mt -36.77 -50.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -55.07 -65.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -47.67 -31.48 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 7.6 mt-10 -70.03 -63.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -53.27 -27.31 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.723 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.1 t-80 -77.02 -23.38 52.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -97.37 12.02 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 4.0 t -118.72 -33.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -121.42 -76.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.723 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.45 -123.77 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 21.92 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.02 56.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 14.8 m95 -50.94 -33.97 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.997 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.06 71.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 4.2 mm-40 -106.57 -9.65 16.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -82.09 -42.17 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.41 -32.68 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -70.66 -6.98 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -75.08 -9.86 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.402 ' CD1' HG22 ' A' ' 69' ' ' ILE . 11.5 mt -144.55 151.01 49.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 84.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . 141.8 152.44 5.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.65 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 1.7 mpp_? 75.2 137.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -99.71 -168.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.359 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -48.94 22.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -14.89 24.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.488 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -77.74 -65.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.488 ' CG1' HG22 ' A' ' 84' ' ' ILE . 57.6 t -60.55 -50.2 81.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.634 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 10.4 ttpp -40.85 -61.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' SER . 5.3 t-20 -58.3 -53.32 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.646 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 5.9 t60 -44.58 -27.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.609 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 3.1 t-105 -63.17 -69.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.468 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.7 m-80 -68.93 -4.08 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.496 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.3 m -72.03 -81.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 -13.8 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.609 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.6 mt -91.69 34.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 8' ' ' GLY . 6.5 t -113.76 -133.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 3.8 mmmt 37.79 30.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 126.59 79.08 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.575 ' CD2' ' O ' ' A' ' 36' ' ' HIS . 10.0 m95 -72.1 133.02 44.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 54.4 p -120.54 -163.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -61.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -44.07 -41.17 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 10' ' ' TRP . 2.0 mp0 -67.16 -43.84 81.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.496 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -61.51 -60.21 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -45.47 -25.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' GLU . 1.2 tttm -64.15 -56.68 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.589 HG12 ' CG2' ' A' ' 33' ' ' ILE . 2.6 t -43.72 -53.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.589 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -56.7 -33.46 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LYS . 2.2 tt0 -82.82 -16.18 48.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.508 HD21 ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -83.48 -45.84 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.31 -33.83 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -36.14 71.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.69 -26.71 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.704 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 4.2 m-30 -84.69 -55.14 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 56.7 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.555 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.96 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.436 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 177.12 -80.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 5.8 mt-30 40.28 49.04 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 24.6 m95 -68.88 -8.74 46.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.04 -37.92 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.704 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -63.78 -55.71 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.589 ' CG2' HG12 ' A' ' 18' ' ' VAL . 4.4 mp -39.34 -60.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 36' ' ' HIS . . . -63.46 -64.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -25.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.613 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.6 m-70 -87.32 -56.86 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.53 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 3.9 mt -107.99 121.67 45.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 81.74 118.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.26 -16.27 26.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -98.68 -160.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.93 -12.98 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.63 -122.08 3.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -167.17 46.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 83.39 47.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.339 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -58.27 179.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 73.59 -58.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.62 77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER 178.13 -53.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.589 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -125.5 0.81 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.035 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 46' ' ' ARG . 45.7 t-80 -102.0 -76.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.648 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 69.0 m95 -61.86 175.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 108.044 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 p -121.37 -157.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASP . 6.2 mm-40 -81.52 -80.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.84 -32.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 2.5 mt-10 -66.27 -39.48 89.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -67.99 -48.72 64.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -58.31 -62.03 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' ALA . 77.6 mt -37.62 -69.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 ' CD1' HG12 ' A' ' 96' ' ' VAL . 38.9 mt -48.42 -49.55 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -61.27 -14.79 29.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mm-40 -125.63 19.18 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -116.76 -26.79 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.92 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 12.3 t-80 -78.32 -19.74 52.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 18.01 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 3.3 t -126.82 -40.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.501 ' CB ' ' HD3' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -109.79 -76.8 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.715 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 165.8 -139.93 6.07 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.459 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.0 17.24 15.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HD3' ' CB ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.63 55.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.92 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.7 m95 -46.71 -34.34 5.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.032 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.83 -16.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 81' ' ' TRP . 27.7 mm-40 -109.53 -44.22 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.485 ' CG2' ' CG1' ' A' ' 96' ' ' VAL . 3.4 mm -44.26 -45.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -68.31 -44.92 74.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -45.98 -31.91 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.59 -39.35 52.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 1.5 mp -108.14 102.01 44.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.41 7.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.48 -27.49 2.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.1 mmt180 -119.43 154.81 33.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.1 p -95.56 -170.22 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -73.68 -47.6 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -14.08 38.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.78 -68.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.501 HG21 ' CH2' ' A' ' 62' ' ' TRP . 58.2 t -55.36 -50.51 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.7 ttpp -42.33 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.19 -50.58 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.588 ' HA ' ' CB ' ' A' ' 102' ' ' SER . 23.7 t60 -44.54 -29.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.673 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 5.4 t-105 -59.23 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.495 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 67.9 m-80 -73.34 -3.78 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.588 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 12.6 t -73.69 -76.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -116.87 -12.91 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.673 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 4.0 mm -89.57 28.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.495 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 1.7 mmtm . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.429 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 24.6 t -118.85 -25.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -79.49 15.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . -178.19 64.45 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.596 ' CZ3' HD11 ' A' ' 37' ' ' LEU . 10.4 m95 -65.17 158.5 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.4 p -152.86 165.41 35.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 5.1 ttmt -37.54 -35.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.653 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -53.92 -46.92 71.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' HG2' ' HB3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -54.79 -42.84 72.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.5 m-20 -75.19 -72.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.653 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -35.74 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' ASP . 6.2 ttmt -74.35 -73.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.564 HG12 ' CG2' ' A' ' 33' ' ' ILE . 4.7 t -42.29 -35.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.584 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -65.93 -48.15 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . 3.5 tt0 -64.97 -25.32 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 25' ' ' TYR . 1.1 mt -76.89 -56.2 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 18' ' ' VAL . 16.7 t -55.82 -19.82 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -46.06 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -14.18 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.597 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -97.82 -56.87 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 19.68 94.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -165.86 -55.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.423 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.4 mttt 166.26 -10.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -69.38 82.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.614 ' CE3' HD12 ' A' ' 33' ' ' ILE . 25.2 m95 -89.46 2.21 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 108.024 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -74.33 -46.49 40.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.69 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -52.15 -23.97 6.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.614 HD12 ' CE3' ' A' ' 30' ' ' TRP . 2.5 mp -73.41 -46.24 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.61 21.31 11.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 31' ' ' THR . 20.8 ttpt -118.66 -33.6 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.69 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 7.2 m170 -84.08 -3.98 58.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.596 HD11 ' CZ3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -147.8 115.79 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 143.87 44.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.06 4.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.68 179.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.86 179.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.85 -112.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -172.18 80.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER 40.49 92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.445 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 14.9 p -80.35 160.13 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 36.58 79.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -177.03 42.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.32 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.503 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -113.57 -20.16 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.026 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -90.0 -43.11 10.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.613 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 46.9 m95 -62.82 173.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.032 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.8 p -135.31 -161.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.5 mm-40 -74.75 -77.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.44 -42.1 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.2 mt-10 -60.8 -34.14 74.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.8 t70 -63.06 -56.34 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.2 mtp85 -56.88 -58.08 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' ARG . 93.7 mt -38.64 -53.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -53.81 -70.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -46.51 -23.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -76.79 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.463 ' CB ' HG13 ' A' ' 84' ' ' ILE . . . -57.79 -26.45 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.708 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.2 t-80 -77.14 -16.92 58.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 12.8 36.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.9 -40.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -113.3 -76.32 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.708 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 156.16 -120.07 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.167 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.2 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.03 57.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -51.88 -33.53 37.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.423 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -62.6 -28.69 70.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -108.87 -9.66 15.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -81.41 -43.48 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -73.03 -38.26 66.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 82' ' ' ALA . 21.9 mtmt -65.15 70.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.9 mt -153.64 -44.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -119.03 162.38 31.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 87.93 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 91' ' ' ARG . . . 149.26 142.22 3.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CH2' ' A' ' 62' ' ' TRP . 16.1 mmt180 78.08 152.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -117.63 -51.89 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -173.49 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -19.98 64.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -67.05 -63.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.484 ' CG1' HG22 ' A' ' 84' ' ' ILE . 59.1 t -61.13 -51.96 67.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.621 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -56.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.88 -54.28 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.613 ' CG ' ' NE1' ' A' ' 62' ' ' TRP . 4.8 t60 -45.92 -25.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.613 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.0 t-105 -64.29 -68.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.463 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.8 m-80 -68.79 -3.46 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 67.1 m -72.97 -80.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.31 -13.44 7.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.613 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.3 mt -90.73 30.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.8 mmmm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.8 t -95.05 -14.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 11.5 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.37 66.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.55 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.741 ' CE3' ' CD2' ' A' ' 37' ' ' LEU . 9.3 m0 -64.26 132.26 49.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -109.17 -164.12 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' GLN . 2.1 tttp -43.71 -58.99 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -42.75 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.642 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -50.33 -38.38 41.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.38 -29.21 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.582 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -63.92 -31.13 72.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 14.2 tttt -66.44 -47.53 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.489 HG22 ' CG ' ' A' ' 37' ' ' LEU . 1.8 t -56.71 -46.7 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.599 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -53.1 -35.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.85 -24.27 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.539 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 1.7 mt -80.91 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.509 ' CG2' ' CD1' ' A' ' 33' ' ' ILE . 42.0 t -52.15 -23.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.86 -23.36 67.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.666 ' CD2' HD21 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.6 -59.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 37.5 102.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 173.76 -65.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.78 . . . . 0.0 110.409 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 27' ' ' THR . 8.2 mttt 166.73 41.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -104.39 83.16 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CZ2' ' HB3' ' A' ' 46' ' ' ARG . 25.7 m95 -94.58 -2.79 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.01 -44.55 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.666 HD21 ' CD2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -49.96 -50.18 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.573 HD12 ' CE3' ' A' ' 30' ' ' TRP . 4.9 mp -53.58 -61.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . -61.65 -17.08 53.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.7 ttmm -101.74 0.56 36.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.595 ' N ' ' O ' ' A' ' 32' ' ' LEU . 5.6 m-70 -113.82 -48.64 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.741 ' CD2' ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -99.98 95.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -170.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.5 18.92 16.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -159.81 146.08 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 mm? -71.58 -179.86 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 34' ' ' ALA . . . -126.48 -1.12 7.22 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -70.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.31 52.67 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -90.2 -9.71 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.604 ' HB3' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -113.87 -164.15 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 tt0 83.79 52.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -161.03 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.599 ' CZ3' HG13 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -90.37 -12.81 36.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.014 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -42.4 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 72.1 m95 -63.55 176.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.48 -166.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.4 mm-40 -74.52 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -44.9 -37.52 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -61.17 -35.0 75.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.6 t70 -70.12 -54.59 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -56.58 17.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 73.9 mt -41.77 -71.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.502 ' CD1' HG12 ' A' ' 96' ' ' VAL . 32.9 mt -45.76 -51.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.505 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -54.78 -15.16 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -106.73 -50.52 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.402 ' CB ' HD11 ' A' ' 84' ' ' ILE . . . -49.04 -39.37 27.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.851 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 8.1 t-80 -62.22 -14.53 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -106.58 25.83 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 72' ' ' GLU . 2.2 t -137.18 -43.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.483 ' CD2' ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -99.64 -74.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 126.62 98.46 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.514 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 43.8 22.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.494 ' CD ' ' HB3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -78.53 50.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.851 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.0 m95 -48.38 -37.76 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -22.67 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.494 ' HB3' ' CD ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -106.96 -39.52 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.554 ' CG2' HG13 ' A' ' 96' ' ' VAL . 5.3 mm -47.18 -49.67 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -62.99 -40.5 97.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.43 60.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 85' ' ' ALA . 11.2 mt -152.32 -41.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.0 163.19 24.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -147.08 -150.24 5.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.447 ' HD2' ' CZ3' ' A' ' 62' ' ' TRP . 67.4 mmt-85 54.4 166.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -144.47 176.94 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.398 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -61.19 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -32.15 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.14 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.554 HG13 ' CG2' ' A' ' 84' ' ' ILE . 61.6 t -54.84 -61.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 11.2 ttpp -36.91 -61.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.404 ' O ' ' OG ' ' A' ' 102' ' ' SER . 4.6 t-20 -60.19 -54.96 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.602 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 22.8 t60 -44.12 -28.1 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.681 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 16.5 t-105 -61.33 -67.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.494 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.9 m-80 -72.46 -3.77 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.565 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 51.5 m -72.86 -80.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -114.11 -14.12 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.681 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.2 mm -88.36 29.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 1.6 mmtt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.578 ' C ' ' H ' ' A' ' 8' ' ' GLY . 41.3 t -100.33 -29.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.71 24.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.578 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.12 73.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.12 5.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.574 1.829 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.689 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m95 -77.68 174.87 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 25.6 p -152.17 -162.91 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.9 tttt -63.74 -51.08 66.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.54 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -41.34 -38.55 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' OE2' ' CZ3' ' A' ' 10' ' ' TRP . 0.8 OUTLIER -73.17 -51.15 18.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' OD2' ' NZ ' ' A' ' 43' ' ' LYS . 19.9 m-20 -59.89 -59.45 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.54 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -41.9 -37.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.9 tttm -54.11 -49.0 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.559 HG12 ' CG2' ' A' ' 33' ' ' ILE . 2.4 t -55.32 -47.92 77.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.554 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -60.39 -35.93 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -80.35 -20.99 42.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.59 HD23 ' CE1' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -78.27 -45.31 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.605 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 22.4 t -68.17 -27.95 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -71.38 -36.18 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -84.32 -27.14 27.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.655 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.5 m-30 -84.48 -57.2 3.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.531 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.74 97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.562 1.164 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -178.06 -61.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.371 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER 173.01 40.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.653 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -109.48 94.82 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 29.6 m95 -106.96 -4.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -77.93 -41.7 35.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.706 ' CD1' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -53.15 -49.5 66.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.559 ' CG2' HG12 ' A' ' 18' ' ' VAL . 4.3 mp -42.13 -46.2 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.67 -23.96 27.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.52 -41.57 46.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.706 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 36.1 m-70 -85.0 10.82 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.689 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 90.0 mt -156.01 103.83 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.28 -158.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.06 -53.47 2.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -179.88 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.42 160.6 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -41.75 154.03 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' NZ ' ' OD2' ' A' ' 15' ' ' ASP . 9.0 tptm -65.15 80.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' CYS . 23.8 mt-30 56.91 67.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLN . 3.5 t -39.95 110.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 23.7 mtm180 73.23 101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 0.6 OUTLIER 175.32 138.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER 85.03 -9.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.605 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -143.34 -81.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.99 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TRP . 27.4 t-80 -37.93 -45.53 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.679 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.609 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 50.0 m95 -62.66 172.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -132.62 -157.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.1 mt-10 -79.72 -79.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -44.42 -35.04 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.475 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.9 mt-10 -65.78 -40.31 91.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.7 t70 -60.52 -52.65 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mmp_? -55.19 -61.52 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.472 HG23 ' CD1' ' A' ' 88' ' ' LEU . 75.7 mt -39.03 -46.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -59.04 -68.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -46.41 -25.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 6.5 mt-10 -77.69 -70.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.456 ' CB ' HD11 ' A' ' 84' ' ' ILE . . . -49.22 -22.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.76 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.3 t-80 -72.37 -42.33 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -84.51 6.79 22.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 3.4 t -112.68 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -130.64 -50.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.622 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 127.73 -68.35 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -148.89 20.27 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 77' ' ' LEU . 3.4 mpt_? -70.19 59.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.76 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.6 m95 -52.03 -36.96 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.24 42.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 80' ' ' ARG . 27.0 mm-40 -105.74 -34.4 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.518 ' CG2' HG13 ' A' ' 96' ' ' VAL . 10.1 mm -50.48 -48.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -62.59 -43.6 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -49.25 -25.71 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.409 HD11 ' CB ' ' A' ' 73' ' ' ALA . 1.4 mt -86.61 -33.27 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.472 ' CD1' HG23 ' A' ' 69' ' ' ILE . 3.4 mp -106.27 105.87 55.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.91 2.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.791 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.45 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.602 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER 171.63 -175.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.416 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 40.5 p -134.02 -140.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.46 -29.97 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.527 ' CB ' ' CG ' ' A' ' 91' ' ' ARG . . . -71.08 -67.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.518 HG13 ' CG2' ' A' ' 84' ' ' ILE . 85.4 t -54.28 -60.26 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.587 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.5 ttpp -37.25 -58.64 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' TRP . 11.0 t-20 -58.51 -53.25 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.609 ' CG ' ' NE1' ' A' ' 62' ' ' TRP . 5.9 t60 -45.05 -25.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.604 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.1 t-105 -64.47 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.444 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 69.1 m-80 -70.98 -2.72 16.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.9 m -73.07 -81.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -121.64 -13.22 8.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.604 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.8 mt -90.84 32.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 1.8 mmmm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.449 ' C ' ' HB3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' GLY . 1.1 t -132.97 -153.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.45 27.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 105.09 72.22 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HB3' ' C ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -75.0 -157.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.579 ' CZ2' ' HB2' ' A' ' 37' ' ' LEU . 11.5 m0 -78.61 -74.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.526 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 1.1 p 69.38 -153.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.1 ttpm? -73.94 -34.32 64.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.78 -62.34 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' CG ' ' CD1' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -50.23 -40.23 46.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.435 ' O ' HD11 ' A' ' 19' ' ' ILE . 5.0 m-20 -65.25 -23.15 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -83.77 -26.18 29.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.534 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 6.6 tttt -85.95 -45.78 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.491 ' CG1' HG13 ' A' ' 33' ' ' ILE . 2.3 t -64.25 -28.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.623 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -71.65 -54.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -34.78 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.576 HD12 ' CE1' ' A' ' 36' ' ' HIS . 51.4 mt -65.13 -58.06 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.492 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 78.4 t -61.19 -16.74 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -24.32 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -22.76 15.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.72 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.3 m-85 -89.77 -53.51 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.53 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 147.12 -106.03 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -175.53 55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 110.366 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -151.56 -44.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -74.08 83.21 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.44 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 35.9 m95 -72.31 -6.42 43.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.522 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -65.42 -43.65 89.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.72 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -51.83 -18.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.491 HG13 ' CG1' ' A' ' 18' ' ' VAL . 4.1 mp -87.15 -48.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.53 30.01 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 31' ' ' THR . 10.4 tttp -123.21 -37.8 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.707 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 3.8 m170 -82.66 -11.98 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.607 ' CD1' ' CG ' ' A' ' 14' ' ' GLU . 1.7 mm? -116.22 -177.81 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.54 ' CD ' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -151.37 32.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.02 62.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.489 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 76.23 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.68 93.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 10' ' ' TRP . . . -31.68 105.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -40.32 104.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.67 91.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 15.4 p -98.01 125.02 42.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 46' ' ' ARG . 27.5 mtm105 55.87 93.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.53 -41.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -86.03 -27.09 25.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.623 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -105.33 -54.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.78 -45.7 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.613 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 95.0 m95 -62.75 -178.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.22 -167.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.1 mm-40 -77.64 -77.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.94 -33.59 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.491 ' HG2' ' CD2' ' A' ' 88' ' ' LEU . 3.5 mt-10 -64.15 -36.33 83.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -71.29 -51.73 22.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 49.7 mtp180 -60.26 -62.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 73' ' ' ALA . 45.5 mt -39.26 -71.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.44 HD11 ' CG1' ' A' ' 96' ' ' VAL . 45.7 mt -48.01 -48.31 12.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 49.6 t80 -59.96 -13.83 13.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 16.4 pt-20 -132.82 22.53 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -119.15 -14.33 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.764 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.6 t-80 -81.82 -33.52 30.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 11.02 17.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.6 t -112.83 -25.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CB ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -132.21 -75.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.732 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 161.37 -141.43 7.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.465 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -91.56 20.22 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.477 ' HD2' ' CB ' ' A' ' 77' ' ' LEU . 3.8 ptp180 -72.36 48.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.764 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.0 m95 -40.22 -34.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 80' ' ' ARG . . . -46.15 -24.12 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' LYS . 21.9 mm-40 -116.61 -45.22 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.542 ' CG2' ' CG1' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -43.66 -27.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -86.23 -44.38 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' GLU . 15.5 mttt -63.9 72.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.0 mt -153.65 -43.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.491 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -120.58 149.74 50.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 98.94 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.42 141.94 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.0 mmt180 67.0 135.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -102.95 -152.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -72.99 -48.59 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -14.53 37.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -83.7 -68.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.564 HG21 ' CH2' ' A' ' 62' ' ' TRP . 98.2 t -54.48 -49.03 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.627 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -38.63 -61.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 102' ' ' SER . 3.9 t-20 -62.92 -39.13 93.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.613 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 1.9 t60 -49.6 -21.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.566 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -70.32 -51.29 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.033 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.416 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 61.5 m-80 -88.5 -4.86 58.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 98' ' ' ASN . 3.6 t -73.4 -73.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.6 m -135.59 -7.85 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.566 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 1.1 mm -99.22 35.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.557 ' CD2' ' NE1' ' A' ' 10' ' ' TRP . 1.2 mp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.536 HG11 ' N ' ' A' ' 7' ' ' LYS . 92.5 t -69.98 -103.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.536 ' N ' HG11 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -82.44 35.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.701 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.17 47.68 8.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.701 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.96 111.73 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.557 ' NE1' ' CD2' ' A' ' 5' ' ' LEU . 10.8 m0 -116.94 -62.86 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.541 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 1.2 p 71.33 177.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -63.59 -16.08 59.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.543 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.9 tt0 -67.84 -52.31 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.458 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -53.05 -46.02 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.931 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -64.6 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.543 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 6.0 pt20 -38.15 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' ASP . 24.3 mttt -68.69 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.5 HG22 ' CD1' ' A' ' 37' ' ' LEU . 26.2 t -42.08 -36.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.547 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -62.68 -80.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.33 -45.0 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 36' ' ' HIS . 13.9 mt -54.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.539 ' CG1' ' NE1' ' A' ' 49' ' ' TRP . 4.4 t -48.68 -21.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -74.0 -38.38 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -101.27 -2.07 32.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.69 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 4.2 m-85 -109.9 -54.06 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 109.37 -91.85 0.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.544 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.21 37.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 -10.51 12.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -127.53 62.27 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.647 ' CH2' ' HA ' ' A' ' 46' ' ' ARG . 79.7 m95 -57.57 -18.74 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.26 -39.29 66.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.943 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.69 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -54.1 -49.77 68.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.485 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 4.1 mp -58.59 -43.4 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.76 7.8 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' THR . 4.0 tttp -113.04 -42.11 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.572 ' CE1' HD12 ' A' ' 21' ' ' LEU . 7.8 m170 -83.31 -26.81 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.5 ' CD1' HG22 ' A' ' 18' ' ' VAL . 10.5 mt -105.4 61.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.483 ' C ' ' CD1' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -55.91 -162.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 100.88 13.3 34.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.586 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 tmm_? 88.28 126.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 35.18 99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -30.38 92.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . 4.9 tmtt? -39.3 107.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 70.1 mt-30 71.62 82.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 120.23 39.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.647 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 5.8 mtt-85 69.73 81.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.1 -75.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -20.07 58.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.539 ' NE1' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.45 20.45 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 46' ' ' ARG . 22.7 t-80 -134.56 -123.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.691 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 47.7 m95 -61.98 173.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -129.89 -162.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.9 mm-40 -75.12 -77.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -44.01 -41.57 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.1 mt-10 -60.81 -38.1 84.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -58.65 -52.04 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' ILE . 7.2 mtp180 -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' ARG . 73.9 mt -36.23 -53.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -52.65 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -48.58 -24.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -78.14 -71.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.462 ' CB ' HD11 ' A' ' 84' ' ' ILE . . . -44.42 -25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 20.8 t-80 -64.48 -52.48 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 1.45 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 4.9 t -104.32 -16.44 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.609 ' HB2' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -133.04 -71.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.26 100.91 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.598 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 39.16 28.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.609 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mpt_? -78.72 52.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.4 m95 -51.73 -38.11 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -17.69 36.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.3 mm-40 -109.56 -37.82 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.524 ' CG2' HG13 ' A' ' 96' ' ' VAL . 4.0 mm -50.23 -46.42 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -68.71 -52.55 29.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -45.18 -26.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.8 -45.34 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -94.76 117.76 66.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.797 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.37 57.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.726 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER 172.15 151.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 p -112.07 -172.12 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -76.71 -41.17 46.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -61.79 -20.36 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.483 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -79.76 -65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.524 HG13 ' CG2' ' A' ' 84' ' ' ILE . 99.1 t -54.68 -60.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.2 ttpp -39.79 -53.71 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 15.6 t-20 -61.52 -48.51 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.749 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 2.7 t60 -52.68 -27.0 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.611 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 5.1 t-105 -65.44 -50.17 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.463 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 62.7 m-80 -87.55 2.11 51.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.534 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 41.0 t -75.48 -80.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -126.92 -8.19 6.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.611 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 9.9 mt -100.48 40.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.479 ' H ' ' CD ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 8' ' ' GLY . 4.5 t -117.99 -133.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 20.2 mmmt 38.21 31.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.65 79.06 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.84 27.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.685 ' CZ3' ' CD2' ' A' ' 37' ' ' LEU . 11.6 m95 -91.06 130.76 36.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.527 ' CA ' ' OE1' ' A' ' 14' ' ' GLU . 74.1 p -127.07 -158.35 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -38.99 -61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -43.9 -33.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.674 ' HG2' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.674 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -66.02 -34.34 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -59.21 -28.25 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.541 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 tttt -73.51 -46.59 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.494 ' CG1' HG13 ' A' ' 33' ' ' ILE . 2.3 t -55.1 -26.23 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.61 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -73.16 -56.48 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.02 -22.23 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.516 ' CD1' ' ND1' ' A' ' 36' ' ' HIS . 25.5 mt -67.75 -56.69 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.569 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 24.9 t -61.86 -20.48 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.87 -34.08 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.76 -25.68 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.702 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.2 m-85 -88.14 -52.98 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.523 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 144.15 -100.6 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -176.0 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.396 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 21.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 59.8 mt-30 -124.63 56.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.62 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 26.7 m95 -51.52 -22.44 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.601 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -62.89 -42.68 99.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -52.11 -19.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 42' ' ' GLY . 4.3 mp -90.69 -50.33 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' CA ' ' HA3' ' A' ' 42' ' ' GLY . . . -88.46 16.22 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -116.91 -38.25 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.684 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 6.3 m170 -84.59 -41.93 15.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.685 ' CD2' ' CZ3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -91.73 64.81 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -67.37 89.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 159.31 42.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.04 -172.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.04 -2.12 42.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.531 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . 46.08 26.36 2.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -98.99 -141.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 43' ' ' LYS . 51.5 tt0 33.25 91.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' GLU . 88.3 m -150.53 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 108.275 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.62 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 69.2 mtp85 -57.13 80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' CYS . 24.7 tt0 -155.91 -43.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -34.65 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.61 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -112.89 -11.23 13.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -76.89 -113.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.615 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.65 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.715 ' CE2' ' CD2' ' A' ' 99' ' ' HIS . 56.3 m95 -63.08 175.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.6 p -138.43 -157.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.9 mm-40 -81.03 -79.94 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.56 -31.15 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 11.7 mt-10 -67.74 -38.11 83.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.6 t0 -63.92 -51.35 64.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.7 mtp180 -56.19 -61.46 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' ARG . 69.7 mt -36.99 -43.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 84' ' ' ILE . 1.1 mm -61.66 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.5 t80 -47.71 -22.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -80.73 -70.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -47.41 -24.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.789 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 21.2 t-80 -70.22 -43.17 71.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.3 pttt -85.55 8.32 19.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 5.1 t -111.91 -20.6 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.622 ' HB2' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -130.4 -74.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 134.76 104.85 0.82 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.581 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.1 OUTLIER 39.42 28.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.622 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mpt_? -78.22 53.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.789 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -52.01 -37.44 53.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.985 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.09 36.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.0 mm-40 -112.74 -27.19 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CG2' HG13 ' A' ' 96' ' ' VAL . 3.4 mm -62.98 -45.7 98.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -71.86 -37.43 70.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 24.1 mmtt -39.18 -31.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -78.56 -51.6 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 87' ' ' LEU . 1.6 mm? -101.93 112.2 65.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.56 10.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.95 7.1 13.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.596 ' CG ' ' CH2' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -116.44 -11.03 11.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 37.1 p 45.19 -91.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -159.64 -44.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' ASN . 1.1 p30 -59.03 -26.75 64.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.08 -64.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.537 HG13 ' CG2' ' A' ' 84' ' ' ILE . 61.8 t -61.51 -59.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.7 ttpp -40.21 -60.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 19.0 t-20 -59.28 -57.2 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.715 ' CD2' ' CE2' ' A' ' 62' ' ' TRP . 7.7 t60 -44.42 -27.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.618 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 6.1 t-105 -63.03 -69.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.452 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.6 m-80 -69.81 -3.11 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.502 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.0 m -72.23 -81.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -118.73 -13.6 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.618 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 3.7 mt -91.96 35.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 10.9 mmtt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.466 ' C ' ' HB3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.481 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -139.05 -63.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 2.43 11.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 172.92 61.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.04 157.67 42.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 14' ' ' GLU . 9.9 m0 -55.73 170.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 11.6 p -151.51 -165.02 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLN . 38.6 ttpt -52.9 -34.26 54.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.586 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -47.59 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 23.8 mp0 -52.04 -38.87 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 68.0 m-20 -64.81 -26.04 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.593 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 1.3 pp0? -64.84 -34.01 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.593 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.4 tttt -69.28 -40.85 77.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.546 HG12 ' CG1' ' A' ' 33' ' ' ILE . 2.3 t -56.93 -35.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.622 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.8 mm -67.78 -38.67 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -21.51 64.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 36' ' ' HIS . 3.9 mt -81.76 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.501 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 96.3 t -50.01 -22.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.5 mttp -71.8 -61.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.29 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.695 ' CD2' HD22 ' A' ' 32' ' ' LEU . 3.5 m-30 -85.17 -61.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.06 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.522 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 179.88 -66.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.414 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER 174.41 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -114.28 98.7 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.505 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 53.2 m95 -111.32 -11.04 14.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -68.5 -38.45 80.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.695 HD22 ' CD2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -54.44 -54.81 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.546 ' CG1' HG12 ' A' ' 18' ' ' VAL . 4.8 mp -40.91 -74.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.9 -59.01 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -46.85 -27.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.639 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.8 m-70 -84.52 -67.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD21 ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -88.85 96.68 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.94 36.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.23 -8.07 45.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.22 158.81 19.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.58 149.9 45.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.37 50.54 4.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -95.59 -58.61 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.58 59.05 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.457 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 42.9 m -113.55 -172.32 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 35.02 61.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 1.3 mt-10 -154.7 120.23 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER 80.34 -3.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.622 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 3.6 t90 -132.77 -47.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.743 ' HD1' ' N ' ' A' ' 51' ' ' ASN . 7.8 t-80 -72.86 -90.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.756 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 94.6 m95 -91.97 -179.82 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.14 -165.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -80.69 -79.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.16 -27.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 70' ' ' ILE . 1.9 mm-40 -66.79 -39.87 87.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -69.46 -46.75 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mtp180 -58.9 -62.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' ARG . 95.8 mt -38.81 -71.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.486 HD12 ' CG2' ' A' ' 96' ' ' VAL . 15.0 mt -48.55 -49.78 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 54.2 t80 -58.73 -15.17 10.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -106.06 -13.12 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -92.17 -22.11 20.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.737 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.9 t-80 -74.57 -14.81 60.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -101.86 12.06 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.4 t -115.1 -34.37 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.02 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.737 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.4 -121.15 1.09 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 22.07 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 54.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.673 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -48.94 -35.48 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.18 48.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LYS . 7.6 mm-40 -104.16 -41.91 5.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -46.98 -42.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -70.99 -31.08 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' GLU . 19.9 mttt -66.45 67.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 4.3 mt -153.77 -44.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.4 OUTLIER -114.6 127.77 26.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 102.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.459 ' O ' ' NE ' ' A' ' 91' ' ' ARG . . . 136.24 55.95 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.734 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 4.9 tpp180 174.15 168.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -133.82 -167.78 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -28.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.508 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.23 -67.41 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.502 HG12 ' CG2' ' A' ' 84' ' ' ILE . 67.2 t -57.44 -54.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.6 ttpp -37.66 -64.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.4 -49.88 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 4.8 t60 -46.91 -25.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.617 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 1.8 t-105 -64.55 -69.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.472 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.5 m-80 -67.26 -4.51 10.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.46 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.7 m -72.06 -80.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.07 -13.96 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.617 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.3 mt -90.76 31.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 5.9 mmmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.543 ' CD1' ' NH1' ' A' ' 40' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' C ' ' H ' ' A' ' 8' ' ' GLY . 77.6 t -114.93 -24.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.96 10.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 176.37 71.67 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 163.96 34.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.578 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 11.0 m0 -110.84 -31.54 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.548 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 1.0 OUTLIER 69.23 -161.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.7 tttm -81.83 -28.05 33.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -45.68 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 10' ' ' TRP . 7.8 mm-40 -49.65 -39.6 36.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 19.3 m-20 -62.35 -31.05 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -62.86 -31.2 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.563 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 12.0 tttm -65.34 -49.51 69.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.524 HG12 ' CG1' ' A' ' 33' ' ' ILE . 1.5 t -50.17 -38.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.503 ' HA ' ' HH2' ' A' ' 49' ' ' TRP . 3.6 mm -58.24 -47.83 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.22 -43.99 72.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.508 HD23 ' CE1' ' A' ' 36' ' ' HIS . 2.9 mt -54.26 -46.08 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.53 HG12 ' CZ2' ' A' ' 49' ' ' TRP . 80.7 t -51.65 -60.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -14.98 9.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -86.27 -45.25 11.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.733 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.5 m-30 -84.63 -51.57 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.564 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 154.45 -126.55 1.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.564 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 1.1 p -164.66 62.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.37 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -120.08 -62.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.5 m95 67.39 9.9 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.035 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.587 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -95.57 -52.48 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.45 -17.7 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' CG1' HG12 ' A' ' 18' ' ' VAL . 5.2 mp -91.3 -57.37 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.72 9.3 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.1 ttpp -116.94 -36.0 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 10.8 m170 -84.84 -39.18 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 1.6 mt -110.31 107.37 17.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -152.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.0 -49.52 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.543 ' NH1' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.65 -174.51 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.03 -179.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' LEU . . . -45.27 171.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.2 tptp -97.03 47.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' LYS . 16.8 tt0 34.91 35.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.1 m -41.44 -39.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.564 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 1.0 OUTLIER -44.51 -62.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' CB ' ' HG2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -62.72 73.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ARG . 8.5 tpp85 -177.69 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.53 ' CZ2' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.25 -20.49 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 107.991 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.564 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 11.9 m-70 -90.56 -26.76 19.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.688 ' N ' HD21 ' A' ' 51' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 65.1 m95 -62.4 174.84 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.56 -166.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.2 mm-40 -72.58 -79.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -37.08 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.15 -37.13 84.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.1 t70 -69.0 -52.63 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -55.61 -59.38 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.2 mt -39.93 -72.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.414 HD12 ' CG1' ' A' ' 96' ' ' VAL . 30.7 mt -45.04 -55.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -48.48 -20.67 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -97.92 -46.31 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -55.03 -21.33 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.783 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.0 t-80 -77.52 -14.13 59.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CE ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -100.76 9.71 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -110.86 -30.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.09 -71.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.783 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 150.37 -118.19 0.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.96 21.12 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.3 52.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.692 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 10.8 m95 -48.73 -37.31 18.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.37 -28.14 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.8 mm-40 -107.83 -43.91 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.512 HG22 ' CG1' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -44.98 -43.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -69.84 -37.13 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.6 mttm -65.38 70.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.7 mt -153.77 -43.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.76 133.19 24.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 127.39 10.62 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.43 -52.01 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.9 mmt180 -93.66 166.28 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.1 p -129.52 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -69.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.23 -29.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.89 -62.32 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.512 ' CG1' HG22 ' A' ' 84' ' ' ILE . 61.3 t -59.89 -54.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.619 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -35.92 -65.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -57.24 -53.84 53.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.68 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 12.7 t60 -44.54 -28.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.561 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.683 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 13.1 t-105 -60.58 -68.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.479 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.4 m-80 -71.19 -4.71 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.571 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.0 t -70.8 -78.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.18 -14.09 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.683 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 1.4 mm -88.35 31.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 2.9 mmtt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.584 ' CG1' ' N ' ' A' ' 7' ' ' LYS . 2.1 t -168.39 169.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.584 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -69.4 42.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 141.72 71.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.2 Cg_endo -75.02 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.587 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 11.3 m0 -56.92 175.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 9.5 p -152.31 -166.91 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.8 ttpp -47.16 -30.08 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -54.14 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.557 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 49.4 mm-40 -49.06 -38.01 22.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -65.06 -32.15 73.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.47 -27.34 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.49 -54.56 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.539 HG12 ' CG2' ' A' ' 33' ' ' ILE . 2.3 t -46.77 -42.66 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.553 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -63.11 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.39 -16.55 61.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.537 HD12 ' CE1' ' A' ' 36' ' ' HIS . 3.7 mt -84.6 -61.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.44 HG13 ' CG ' ' A' ' 49' ' ' TRP . 6.5 t -56.26 -20.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -59.6 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -20.96 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.672 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 4.0 m-30 -85.81 -60.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 31.14 92.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.439 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -175.17 -61.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' NZ ' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER 173.42 57.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.91 99.14 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.616 ' CH2' ' HA ' ' A' ' 46' ' ' ARG . 35.2 m95 -116.16 -6.96 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -39.92 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.672 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -54.66 -53.38 55.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.539 ' CG2' HG12 ' A' ' 18' ' ' VAL . 4.8 mp -38.62 -70.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.61 -60.04 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -29.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.64 ' N ' ' O ' ' A' ' 32' ' ' LEU . 9.9 m-70 -84.92 -62.68 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.606 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.587 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -96.99 92.22 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.538 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.14 36.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.24 -15.11 8.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -137.88 55.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 33.39 -101.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.01 41.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -54.35 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.45 54.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 47' ' ' GLU . 4.3 t -143.04 -42.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.616 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 mtm105 -64.32 65.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 45' ' ' CYS . 19.9 tt0 -145.19 15.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.01 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.554 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -92.45 -16.05 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.584 ' CD2' ' NE1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -97.11 -35.43 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.566 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.513 ' N ' HD21 ' A' ' 51' ' ' ASN . 1.5 m-80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.635 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 61.7 m95 -63.05 175.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.414 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 14.9 p -132.1 -164.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASP . 12.6 mm-40 -74.1 -79.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -41.58 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 33.6 mt-10 -59.79 -36.33 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t70 -60.38 -53.86 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' ILE . 3.4 mtp180 -61.14 -57.25 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 90.6 mt -36.02 -39.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -66.56 -70.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -48.53 -20.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' O ' HG21 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -83.2 -65.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . . . -54.4 -20.96 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.724 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 19.6 t-80 -76.5 -14.31 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.646 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.84 13.43 32.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 72' ' ' GLU . 1.2 t -117.82 -37.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.433 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -119.96 -69.36 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.724 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 145.93 -113.24 0.67 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.05 20.27 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.481 ' CD ' ' HB2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.58 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.1 m95 -51.84 -37.03 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.41 -25.31 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.481 ' HB2' ' CD ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -99.39 -40.44 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.568 ' CG2' HG13 ' A' ' 96' ' ' VAL . 3.6 mm -47.89 -44.03 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -69.59 -37.1 76.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -56.65 -35.89 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 73' ' ' ALA . 5.9 mt -74.86 -16.7 60.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 10.7 mt -95.22 165.38 16.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.01 7.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.41 98.49 0.61 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.569 ' HD2' ' CH2' ' A' ' 62' ' ' TRP . 9.6 mmt-85 -146.69 17.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 2.0 p 45.73 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.07 -57.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -30.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 91' ' ' ARG . . . -68.1 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.568 HG13 ' CG2' ' A' ' 84' ' ' ILE . 92.8 t -53.99 -57.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.641 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -39.36 -43.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.1 t-20 -74.95 -47.97 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.635 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.7 t60 -46.61 -22.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.632 ' CZ2' ' ND1' ' A' ' 74' ' ' HIS . 1.3 t-105 -69.52 -53.57 18.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 68.4 m-80 -88.13 -6.27 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 98' ' ' ASN . 1.3 t -72.24 -73.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -136.55 -8.06 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.568 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 0.9 OUTLIER -98.02 33.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.474 ' CG1' ' H ' ' A' ' 7' ' ' LYS . 5.1 t -110.15 -133.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 29.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 123.16 79.36 0.46 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.04 21.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.654 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.2 m0 -90.43 158.74 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' GLU . 28.4 p -147.24 -165.39 2.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttt -39.83 -53.96 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -45.04 -40.35 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.654 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -57.41 -47.5 81.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.488 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -62.07 -49.36 76.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.524 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -48.01 -24.31 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.524 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.2 tttp -72.41 -53.82 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG22 ' CD2' ' A' ' 37' ' ' LEU . 2.3 t -45.96 -30.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.81 -47.97 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.81 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 36' ' ' HIS . 1.4 mt -89.29 -30.8 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.431 HG11 ' CG2' ' A' ' 27' ' ' THR . 39.0 t -70.1 -34.94 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.07 -38.31 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -70.11 -23.05 62.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.656 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.7 m-30 -98.78 -48.94 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.56 0.27 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.156 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.431 ' CG2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER 77.89 52.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 -55.52 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.25 73.16 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.402 ' HH2' ' CD1' ' A' ' 49' ' ' TRP . 74.9 m95 -54.77 -21.11 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.557 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.83 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.656 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.05 -45.74 61.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.495 ' CG1' ' CG1' ' A' ' 18' ' ' VAL . 3.6 mp -61.67 -39.2 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.05 16.7 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.557 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -120.86 -33.73 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.633 ' O ' ' CZ3' ' A' ' 10' ' ' TRP . 13.7 m-70 -82.57 -54.86 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.514 ' CD2' HG22 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -84.73 65.85 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 80.74 0.91 88.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 157.58 -170.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.41 126.92 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.42 107.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -64.7 61.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.589 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER 169.33 54.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.64 80.57 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.288 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER 58.88 113.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 164.79 50.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 179.21 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.61 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -112.58 -34.84 5.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -85.15 -36.68 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.963 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.611 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 57.5 m95 -62.32 173.65 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.3 p -123.04 -158.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.6 mm-40 -79.84 -80.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -34.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -63.6 -40.67 97.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t0 -66.86 -47.44 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLU . 2.3 mmp_? -59.01 -62.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' ALA . 86.0 mt -37.48 -70.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.497 HG12 ' CG2' ' A' ' 84' ' ' ILE . 13.0 mt -48.25 -50.94 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.1 -14.24 9.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 3.1 mm-40 -125.5 15.65 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -119.89 -11.29 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.88 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 17.2 t-80 -88.53 -24.63 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.31 11.95 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -115.03 -32.14 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.579 ' HB2' ' HB2' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -118.37 -75.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.61 110.44 1.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.535 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 36.07 31.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 1.1 mpt_? -82.98 48.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.88 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -51.55 -37.17 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.03 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.22 35.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.517 ' CG ' ' HB3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -109.98 -36.47 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.497 ' CG2' HG12 ' A' ' 70' ' ' ILE . 3.5 mm -54.47 -53.88 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.95 82.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -63.77 -33.98 76.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.03 6.74 20.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.6 mt -107.23 161.44 22.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.2 -133.37 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 73.8 mmt-85 47.81 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 p -138.75 -173.15 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.422 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.74 -33.56 52.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.44 -22.29 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.05 -61.28 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.563 HG21 ' CH2' ' A' ' 62' ' ' TRP . 85.9 t -55.48 -60.51 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 10.0 ttpp -36.9 -52.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.4 t-20 -65.61 -54.48 27.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.611 ' CG ' ' NE1' ' A' ' 62' ' ' TRP . 5.4 t60 -45.29 -26.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.601 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.9 t-105 -63.81 -69.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.5 m-80 -67.19 -4.85 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.2 m -71.7 -79.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -123.48 -13.54 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.601 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.2 mt -91.92 34.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.527 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 8.5 mm 65.11 71.79 0.51 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.498 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.05 -163.3 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -67.5 166.65 14.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 73.71 14.95 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 35.0 t -93.53 -25.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 20.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.6 67.6 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.81 5.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.507 ' CH2' ' HA ' ' A' ' 37' ' ' LEU . 9.4 m95 -79.05 171.9 14.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.463 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.3 p -152.23 -163.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 tmtt? -62.3 -31.26 71.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -51.62 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -50.34 -39.98 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.24 -29.08 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -64.43 -29.51 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.574 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.9 tttp -70.06 -46.8 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.523 HG12 ' CG1' ' A' ' 33' ' ' ILE . 2.2 t -52.66 -38.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.546 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -68.84 -33.39 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.9 -21.94 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.488 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 1.5 mt -89.02 -44.49 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' CD1' ' A' ' 33' ' ' ILE . 54.9 t -59.82 -34.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -76.5 -40.44 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -73.9 -15.17 61.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.655 ' CD2' HD22 ' A' ' 32' ' ' LEU . 3.2 m-85 -100.32 -52.58 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 120.55 5.1 10.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.545 HG22 ' CG ' ' A' ' 49' ' ' TRP . 0.2 OUTLIER 71.62 55.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.425 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 -44.31 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -95.81 73.41 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 62.5 m95 -58.16 -17.85 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.29 -29.57 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.655 HD22 ' CD2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -61.88 -55.16 32.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.523 ' CG1' HG12 ' A' ' 18' ' ' VAL . 4.3 mp -45.37 -61.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 36' ' ' HIS . . . -61.58 -63.24 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 31' ' ' THR . 12.1 tttt -44.06 -28.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.553 ' CD2' HD11 ' A' ' 32' ' ' LEU . 10.8 m-70 -84.19 -59.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.507 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -97.87 92.18 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -161.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.27 -48.84 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.41 -172.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.33 145.39 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.03 13.43 56.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 44' ' ' GLN . 2.6 tptt -80.83 -138.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 35.55 66.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.2 m -166.27 -44.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 108.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 6.5 mtt180 -36.79 -35.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.17 56.55 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.65 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.545 ' CG ' HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -98.79 -21.28 16.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.78 -31.12 10.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.533 ' N ' HD21 ' A' ' 51' ' ' ASN . 1.4 m-80 -110.05 75.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.41 -63.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.585 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tt -39.93 123.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.2 t30 178.23 65.45 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -157.74 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 61' ' ' SER . 2.0 mt-10 -113.32 -170.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 63' ' ' THR . 86.9 t -71.74 -26.41 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 59' ' ' LYS . 24.5 tttt -176.15 35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.7 OUTLIER 56.42 110.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 85.28 -43.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 60' ' ' SER . 4.4 m -58.27 -154.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 68.6 m95 -62.69 175.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.521 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 4.9 p -124.27 -158.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 14.7 mm-40 -80.85 -82.04 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -29.73 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.67 -41.26 79.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.97 -47.4 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 mtp180 -56.35 -61.55 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 73' ' ' ALA . 61.1 mt -37.39 -65.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.501 ' CD1' HG12 ' A' ' 96' ' ' VAL . 35.5 mt -51.38 -45.49 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -66.7 -14.07 62.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -126.87 21.25 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -117.92 -33.91 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.834 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 5.8 t-80 -69.66 -14.62 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.44 11.54 36.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -114.75 -36.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.95 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.791 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 161.82 -131.65 2.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -89.35 25.62 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.18 55.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.834 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 16.1 m95 -50.86 -36.16 36.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.54 -29.12 61.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.62 -39.62 10.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.479 ' CG2' HG13 ' A' ' 96' ' ' VAL . 3.8 mm -50.18 -48.56 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -67.06 -45.46 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -41.53 -28.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' N ' ' C ' ' A' ' 85' ' ' ALA . 11.4 mt -74.25 -51.67 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.1 mm? -98.83 111.23 60.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.55 8.71 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.78 -51.44 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.55 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.0 mmt180 -89.24 160.13 17.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -107.2 -169.8 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -74.2 -44.77 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -13.98 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.35 -66.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.501 HG12 ' CD1' ' A' ' 70' ' ' ILE . 57.9 t -54.91 -51.17 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -42.25 -59.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.5 t-20 -60.27 -44.07 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.4 t60 -48.72 -23.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.575 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -68.52 -53.13 25.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.019 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 54.6 m-80 -83.41 -4.44 58.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.49 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 50.7 m -73.46 -77.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 m -132.32 -6.78 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.575 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -100.49 35.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -120.53 39.96 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -68.58 -61.9 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.49 86.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -155.99 -46.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.31 33.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.456 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -136.81 61.88 38.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.99 1.19 8.01 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.488 1.783 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' A' ' 5' ' ' LEU . 7.9 t70 -119.04 41.34 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' O ' ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 37.97 95.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.369 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 8' ' ' GLY . 2.1 t -128.81 -144.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.56 28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 111.57 77.14 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.652 ' CZ3' ' CD1' ' A' ' 37' ' ' LEU . 8.6 m0 -62.5 164.66 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.1 p -152.58 172.62 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -38.15 -32.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -62.02 -55.13 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.98 -21.15 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.51 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 3.3 m-20 -91.43 -19.04 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 2.8 pt20 -88.75 -27.89 20.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -47.05 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.5 HG23 ' CG2' ' A' ' 33' ' ' ILE . 2.1 t -65.03 -37.12 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.63 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -63.07 -72.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.76 -22.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 36' ' ' HIS . 20.5 mt -81.25 -77.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.533 ' CG1' ' CZ2' ' A' ' 49' ' ' TRP . 4.0 t -41.96 -30.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.25 -49.79 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -68.49 -20.84 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.609 ' CE2' HD21 ' A' ' 32' ' ' LEU . 4.7 m-30 -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.579 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 49.25 108.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.579 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 160.6 -71.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 166.25 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 8.2 mt-30 -109.51 95.3 5.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 25.7 m95 -97.29 -8.73 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -72.9 -49.22 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.609 HD21 ' CE2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -49.82 -49.35 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 29' ' ' GLN . 4.4 mp -54.33 -38.64 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.12 14.18 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -116.34 -39.27 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.579 ' CE1' HD12 ' A' ' 21' ' ' LEU . 9.9 m-70 -83.47 -10.56 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.652 ' CD1' ' CZ3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -147.01 117.42 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -88.09 169.86 11.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.45 ' C ' ' CD1' ' A' ' 5' ' ' LEU . . . 105.64 -53.48 0.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.527 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -103.26 153.97 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.47 -172.08 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.88 68.65 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -144.02 -51.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.42 97.07 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.9 m -162.48 -65.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 4.5 ptm180 -82.91 46.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -105.48 31.14 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.597 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.8 ttt180 -89.89 -50.19 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.63 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -79.0 -17.01 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.68 -63.75 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.783 ' N ' HD21 ' A' ' 51' ' ' ASN . 0.7 OUTLIER -90.38 48.77 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -101.63 -66.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -40.39 105.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -95.47 125.7 48.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.5 Cg_endo -75.0 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 68.2 tt0 54.22 165.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 99.0 t -90.19 22.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER 88.78 92.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 43.77 -165.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.41 ' O ' ' OG ' ' A' ' 61' ' ' SER . 0.3 OUTLIER -54.39 111.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 60' ' ' SER . 0.7 OUTLIER -172.14 -150.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.597 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 79.8 m95 -62.82 177.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 p -124.6 -156.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.1 mt-10 -82.06 -81.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -44.06 -32.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 88' ' ' LEU . 2.2 mt-10 -65.94 -41.91 90.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -70.96 -49.14 48.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.1 mmp_? -58.85 -62.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 88' ' ' LEU . 27.9 mt -38.74 -70.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.488 HD11 ' CG1' ' A' ' 96' ' ' VAL . 64.6 mt -43.22 -55.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -50.23 -38.79 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.13 12.2 35.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.451 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -111.12 -22.55 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.79 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.8 t-80 -75.51 -15.5 60.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.13 11.45 39.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -112.49 -28.4 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.05 -69.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.79 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.36 -122.96 1.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.78 19.41 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 52.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.3 m95 -47.81 -36.98 12.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.999 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.19 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 3.4 mm-40 -109.56 -44.38 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.51 ' CG2' HG12 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -44.85 -38.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -75.18 -38.38 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' GLU . 34.2 mttt -62.79 74.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.7 mt -156.48 -43.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -124.53 150.79 65.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.91 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.4 142.17 4.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.48 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 69.8 mmt-85 67.13 125.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.8 p -92.43 -139.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 -48.08 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.26 -14.39 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -82.26 -69.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.588 HG21 ' CH2' ' A' ' 62' ' ' TRP . 97.7 t -54.43 -50.59 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.63 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.9 ttpp -38.43 -64.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -57.16 -49.32 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.597 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 4.8 t60 -44.59 -28.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.605 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.1 t-105 -61.77 -68.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 67.8 m-80 -69.43 -3.94 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 22.4 t -72.05 -78.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -126.03 -12.99 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.605 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.7 mt -90.96 31.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 22.1 mmmt -147.31 105.43 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.77 -68.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 5.2 tttt -67.25 77.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.73 -46.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -152.69 76.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.442 ' HB ' ' CG2' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -131.81 174.82 4.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.2 Cg_endo -75.02 -161.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.467 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 12.8 t70 -81.49 165.29 21.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 79.06 16.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 55.4 t -80.05 -27.89 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 16.52 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 176.13 62.9 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 126.24 9.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 7.1 m0 -72.84 160.69 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' GLU . 71.7 p -153.17 171.65 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' THR . 3.0 tptm -39.86 -32.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.08 -51.42 68.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -53.55 -31.84 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.438 ' O ' HD12 ' A' ' 19' ' ' ILE . 10.0 m-20 -78.21 -47.69 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -53.51 -24.66 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.0 tttp -83.61 -53.35 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' CG1' HG13 ' A' ' 33' ' ' ILE . 2.7 t -56.68 -36.5 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.68 ' CD1' ' CZ2' ' A' ' 49' ' ' TRP . 1.1 mp -65.34 -75.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 32.8 tt0 -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.526 ' CD1' ' ND1' ' A' ' 36' ' ' HIS . 41.8 mt -54.62 -56.23 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.456 HG21 ' NH1' ' A' ' 46' ' ' ARG . 21.4 t -61.78 -14.53 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -15.12 33.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -20.35 12.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.697 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.4 m-30 -93.98 -53.46 3.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 145.0 -116.11 0.9 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.502 1.127 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 1.0 OUTLIER -163.36 29.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.402 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -132.67 8.0 4.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.469 ' C ' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -120.28 94.01 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.593 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 17.6 m95 -84.46 -6.11 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -69.03 -47.84 64.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.356 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.7 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -52.09 -16.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.518 HG13 ' CG1' ' A' ' 18' ' ' VAL . 3.8 mp -90.53 -48.66 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.02 28.9 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 31' ' ' THR . 16.8 tttt -126.19 -38.08 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.7 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 3.1 m-70 -85.93 -9.94 56.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.616 ' HB2' ' CH2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -142.39 109.62 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -99.65 124.83 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.67 -27.8 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 165.97 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.51 164.62 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.17 96.27 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.57 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.3 96.49 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.7 -77.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 25.4 ptt180 -95.51 76.6 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -110.88 -13.35 14.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -94.76 -90.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.68 ' CZ2' ' CD1' ' A' ' 19' ' ' ILE . 12.1 p-90 -41.87 -30.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' C ' ' A' ' 48' ' ' ARG . 9.5 t-80 -61.91 -64.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 1.4 m-80 -106.14 -146.65 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' ' 51' ' ' ASN . 13.9 m-70 71.89 -51.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.659 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -74.54 81.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -168.54 66.58 0.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.258 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -157.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -130.97 -171.03 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.408 ' CG2' ' HG2' ' A' ' 64' ' ' GLU . 89.1 t -68.8 -37.44 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt 178.47 158.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -66.16 104.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 84.05 -153.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.62 -150.95 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.945 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.619 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 64.5 m95 -62.85 174.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 p -123.81 -158.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' ASP . 10.5 mm-40 -80.32 -79.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.57 -34.38 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 70' ' ' ILE . 1.4 mt-10 -65.26 -38.46 90.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.0 OUTLIER -69.59 -50.67 42.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.0 mtp180 -58.49 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' ARG . 93.0 mt -36.81 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.48 HD12 ' CG2' ' A' ' 96' ' ' VAL . 29.3 mt -49.31 -51.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 10.7 t80 -54.82 -23.25 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . 4.3 pt-20 -113.8 11.46 18.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -107.29 -24.03 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.825 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.5 t-80 -75.19 -15.36 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 11.62 38.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -112.06 -30.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' CD1' ' OE2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -132.48 -73.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.825 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.34 -127.85 1.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -88.94 24.24 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -72.22 53.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.746 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 15.9 m95 -47.87 -34.41 8.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.981 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.55 -32.84 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.468 ' OE2' ' CD1' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -102.41 -37.01 8.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.489 ' CG2' HG12 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -54.23 -46.99 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 70.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' HG ' ' CD1' ' A' ' 88' ' ' LEU . 3.5 tp -165.98 -42.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' CD1' ' HG ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -100.03 144.79 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 87.67 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 145.97 5.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 28.7 mmt180 68.8 148.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 14.8 p -114.43 -148.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.67 -50.89 10.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -14.32 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.583 HG21 ' CH2' ' A' ' 62' ' ' TRP . 62.4 t -55.05 -52.34 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.4 ttpp -37.67 -62.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -58.31 -44.93 88.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.619 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 3.4 t60 -50.26 -22.65 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.604 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 1.0 OUTLIER -67.28 -52.85 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 55.5 m-80 -83.81 0.15 48.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.5 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 47.5 t -75.05 -75.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.13 -8.38 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.614 HD13 ' CG ' ' A' ' 99' ' ' HIS . 9.1 mt -99.25 38.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.479 ' HD3' ' C ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -124.36 47.14 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -78.01 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.51 79.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' ARG . 2.4 t -152.26 -47.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -88.61 45.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 6.7 mm -127.32 72.15 77.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.557 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.0 -156.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.466 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 19.9 t70 -66.87 164.11 18.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 79.79 8.27 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.557 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 13.6 t -105.06 -131.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.534 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.07 29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 122.67 78.23 0.43 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 8.6 m0 -66.87 160.68 25.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.5 p -152.59 170.63 19.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -42.3 -33.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.567 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -58.01 -45.14 87.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -59.64 -43.07 94.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LYS . 11.4 m-20 -67.09 -66.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.567 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 5.7 pt20 -38.13 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ASP . 14.2 tttt -76.36 -61.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.495 ' CG1' HG12 ' A' ' 33' ' ' ILE . 2.2 t -58.1 -16.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.57 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -82.79 -68.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 19' ' ' ILE . 38.2 mt-10 -55.28 -19.16 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.582 HD12 ' CE1' ' A' ' 36' ' ' HIS . 13.1 mt -79.17 -65.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 18' ' ' VAL . 76.3 t -51.36 -20.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 23.4 mttt -72.21 -58.57 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -23.93 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.617 ' CD2' HD22 ' A' ' 32' ' ' LEU . 3.1 m-85 -84.53 -58.72 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 30.45 100.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 175.45 -64.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.3 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -107.7 86.7 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CE3' HD12 ' A' ' 33' ' ' ILE . 26.6 m95 -91.89 -5.74 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.0 -42.31 97.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.617 HD22 ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -51.13 -48.23 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.543 HD12 ' CE3' ' A' ' 30' ' ' TRP . 4.6 mp -54.55 -40.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.26 11.17 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -113.49 -38.23 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.582 ' CE1' HD12 ' A' ' 21' ' ' LEU . 9.3 m-70 -84.47 -17.37 39.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.616 ' HB2' ' CH2' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -143.52 116.2 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -122.26 113.41 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.92 -34.78 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -128.82 51.7 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 40.33 -166.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.65 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.64 -69.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.96 82.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.8 t -152.66 -47.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' CYS . 82.3 mtt180 -36.2 -33.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -67.08 81.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.592 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -155.61 -54.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -119.53 -17.12 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.039 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -42.19 75.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.549 ' ND2' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -86.65 -45.16 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 12.7 m-70 -52.74 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -52.35 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -150.82 139.39 12.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.5 Cg_endo -74.99 -90.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 57' ' ' VAL . 15.0 tt0 56.84 159.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.498 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 98.0 t -91.99 -105.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.451 ' N ' HG11 ' A' ' 57' ' ' VAL . 0.1 OUTLIER 51.64 -168.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.48 -169.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.3 OUTLIER -44.4 156.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.031 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.1 m 84.99 -156.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.959 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.584 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 75.0 m95 -63.66 176.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.481 ' CA ' HG13 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -132.05 -166.27 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mm-40 -75.31 -77.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -47.49 -31.89 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.5 mt-10 -67.43 -32.78 73.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.8 t0 -67.61 -54.75 17.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ILE . 16.3 mmm180 -54.87 -60.37 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.452 HG23 ' CD2' ' A' ' 88' ' ' LEU . 72.0 mt -37.63 -53.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.3 mm -52.77 -70.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -46.43 -23.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -77.15 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.461 ' CB ' HG13 ' A' ' 84' ' ' ILE . . . -54.85 -26.97 38.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.71 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 11.9 t-80 -76.45 -18.08 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -101.69 16.45 25.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.96 -40.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -111.94 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.71 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 157.08 -121.9 1.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.62 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.02 58.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -52.88 -33.67 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.04 -23.8 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' ARG . 11.7 mm-40 -113.77 -9.08 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.601 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -81.78 -39.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -72.67 -31.96 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -42.53 -29.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' ALA . 2.2 mp -78.34 -47.95 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 mm? -94.89 111.96 56.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 152.48 41.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.07 -31.22 6.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -103.52 134.96 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.2 p -91.42 -153.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -83.54 -47.8 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.66 -14.25 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.5 -67.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 84' ' ' ILE . 67.0 t -57.47 -54.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.636 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.6 ttpp -39.18 -57.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -58.64 -44.0 89.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.64 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 8.6 t60 -58.07 -21.54 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.567 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.578 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 1.3 t-105 -67.29 -45.73 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.468 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 55.5 m-80 -89.36 0.85 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.496 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 16.0 m -74.16 -83.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.86 -5.79 6.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.64 ' CD1' ' CD2' ' A' ' 99' ' ' HIS . 6.4 mt -88.42 38.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 23.2 mmmt -107.05 -168.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -97.37 -80.32 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.45 60.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.9 OUTLIER -124.64 -60.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' VAL . 13.4 t0 37.52 56.95 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 6' ' ' VAL . 0.9 OUTLIER -102.2 159.14 30.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -75.03 -161.32 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' A' ' 5' ' ' LEU . 1.1 t70 33.32 79.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.492 ' O ' ' O ' ' A' ' 4' ' ' ASP . 0.5 OUTLIER 58.99 132.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.508 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 1.1 t -100.43 -161.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 8.33 15.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 178.42 59.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -74.99 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.546 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 12.2 m0 -55.24 172.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 10.5 p -151.49 -163.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -49.71 -34.57 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.574 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.92 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.538 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 11.0 mp0 -51.31 -39.57 57.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -63.5 -28.52 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.574 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -66.5 -28.87 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 1.2 tttp -67.74 -48.67 65.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.49 ' CG2' HD12 ' A' ' 37' ' ' LEU . 1.9 t -50.5 -51.19 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.581 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -52.97 -39.6 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.85 -22.29 62.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.505 ' HB3' ' CD2' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -83.16 -72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.477 HG23 ' CD1' ' A' ' 33' ' ' ILE . 17.7 t -40.94 -29.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -70.24 -53.93 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -66.04 -23.23 66.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CE2' HD21 ' A' ' 32' ' ' LEU . 3.7 m-30 -85.24 -59.45 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.582 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 41.54 106.29 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 165.19 -69.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' CE ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 166.89 63.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -125.67 79.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CZ3' ' HB3' ' A' ' 45' ' ' CYS . 38.6 m95 -85.09 -8.01 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 108.006 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.49 -41.39 80.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.622 HD21 ' CE2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -51.77 -48.4 63.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.9 mp -57.19 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -25.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 31' ' ' THR . 1.4 tmmt? -80.93 -36.69 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 12.4 m170 -84.16 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.546 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 0.4 OUTLIER -94.0 92.43 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 36.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.33 -15.23 64.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.67 164.2 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.05 -174.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.86 24.73 19.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -77.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -82.64 52.2 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.59 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -95.66 -52.78 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.0 mtt180 -60.81 80.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' CYS . 6.2 tt0 -149.66 -40.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.417 ' NH1' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -38.08 -34.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -117.23 -42.07 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.029 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.38 -71.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.52 76.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ASN . 8.8 t-80 -150.24 -47.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -39.45 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' HIS . 9.9 t30 -121.05 96.32 48.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -157.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.87 -167.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.476 HG13 ' CA ' ' A' ' 63' ' ' THR . 79.4 t -76.22 -103.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 0.0 OUTLIER 59.89 -166.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' CD ' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER 49.51 -171.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.54 167.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.86 -147.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.62 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 42.9 m95 -62.34 -173.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.034 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.476 ' CA ' HG13 ' A' ' 57' ' ' VAL . 40.7 p -148.81 -163.28 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' ASP . 22.8 mm-40 -73.67 -76.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -44.88 -37.26 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.97 -34.26 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.7 t70 -69.72 -53.26 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 18.0 mmm180 -57.1 -57.99 10.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.488 ' CG2' HD12 ' A' ' 87' ' ' LEU . 65.9 mt -42.01 -73.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' CG1' ' A' ' 96' ' ' VAL . 30.0 mt -45.13 -55.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 24.0 t80 -47.97 -21.02 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' HG21 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -95.97 -45.53 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -53.66 -28.94 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.765 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.4 t-80 -72.23 -13.84 61.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 14.03 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -116.91 -34.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.82 -73.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.765 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.23 -118.17 0.84 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.44 19.38 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.35 57.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.674 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.5 m95 -52.66 -33.66 48.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.99 68.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -112.09 -9.83 13.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -79.31 -45.91 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -57.92 -17.61 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -69.47 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.488 HD12 ' CG2' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -157.17 -37.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.583 ' CB ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -91.95 -175.45 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.583 ' CD ' ' CB ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 1.81 7.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.82 119.79 1.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.587 ' HD2' ' CH2' ' A' ' 62' ' ' TRP . 30.3 mmt180 -148.5 18.97 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.476 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 69.3 p 42.3 -103.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.476 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -163.81 -44.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -15.7 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.76 -65.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.54 HG23 ' CH2' ' A' ' 62' ' ' TRP . 62.1 t -62.9 -48.45 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.593 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -38.61 -49.24 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.2 t-20 -74.04 -38.48 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.62 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.1 t60 -52.48 -19.12 2.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.562 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -72.41 -49.78 31.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.003 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 58.0 m-80 -87.89 -5.92 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 23.4 m -72.09 -75.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.8 m -134.71 -7.02 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.562 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 0.8 OUTLIER -99.05 33.74 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -117.78 38.74 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -75.76 -69.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.09 59.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' ASP . 1.9 t -80.11 -66.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.174 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.0 t0 38.35 69.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.342 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 13.8 mm 52.64 65.2 6.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.523 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.92 -160.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.422 1.749 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.483 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 3.7 t70 -71.51 160.69 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 76.06 13.93 2.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 12.0 t -83.71 -24.22 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -78.03 16.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.45 67.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 121.81 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.635 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.7 m95 -81.23 168.93 17.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 16.4 p -151.93 -164.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 ttpt -58.28 -34.16 70.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -50.82 -40.61 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 63.5 m-20 -63.08 -30.09 71.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -66.96 -25.81 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 10.5 tttt -67.97 -53.2 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.592 HG12 ' CG2' ' A' ' 33' ' ' ILE . 11.5 t -49.17 -50.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.532 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -58.11 -42.59 83.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.08 -11.82 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -83.23 -50.44 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.573 ' HB ' ' CZ3' ' A' ' 49' ' ' TRP . 3.9 t -64.8 -26.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -41.24 60.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.34 -23.13 37.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 4.5 m-30 -86.2 -57.69 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 32.37 94.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -175.43 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.409 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER 170.46 46.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.41 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -113.34 94.8 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.601 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 33.2 m95 -115.26 -4.52 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -44.22 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.648 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -53.7 -23.61 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.61 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 2.3 mp -67.91 -49.47 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.65 4.47 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 -18.18 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.648 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 9.5 m-70 -88.92 -41.84 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.635 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 2.0 mt -108.04 94.31 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -81.91 -162.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.45 -52.56 3.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.4 173.6 10.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.68 151.68 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -44.7 104.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLY . 7.6 tmtt? -39.41 94.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER 62.65 129.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.1 t -124.48 103.38 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.601 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.3 mtt180 66.54 87.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.25 29.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -178.66 -78.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 108.021 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -40.54 -34.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.71 53.99 0.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' TRP . 2.9 t-80 -121.67 -75.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.562 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mp 59.11 155.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.6 t30 169.85 67.51 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -157.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.41 -167.82 2.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 58' ' ' LYS . 55.5 t -74.51 -99.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.454 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -136.3 -169.5 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.98 105.78 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER 172.02 -96.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.4 m 162.93 38.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.604 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 85.0 m95 -102.55 -168.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.493 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -148.73 -165.81 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -77.64 -81.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.47 -27.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.493 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 27.8 mt-10 -70.31 -38.68 74.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.8 t0 -66.38 -49.67 66.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ILE . 19.2 mmm180 -54.52 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 73.9 mt -37.81 -47.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -56.61 -70.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 2.1 t80 -48.47 -22.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -76.8 -53.8 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 84' ' ' ILE . . . -64.21 -27.5 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.704 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.5 t-80 -73.13 -15.83 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.55 16.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.8 t -126.16 -41.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -111.2 -76.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.704 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.87 -118.71 0.87 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 19.08 5.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.609 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.02 57.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.242 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.0 m95 -51.88 -34.34 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.93 -27.27 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.1 mm-40 -110.79 -8.2 14.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.609 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -80.87 -41.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -70.57 -15.66 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.89 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 69' ' ' ILE . 5.4 mp -74.33 -6.27 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.23 159.02 43.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.68 104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 72.2 mmt-85 -149.36 20.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.548 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 19.9 p 36.86 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -115.35 -37.24 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -14.07 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 91' ' ' ARG . . . -80.25 -69.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.487 ' CG1' HG22 ' A' ' 84' ' ' ILE . 58.3 t -58.4 -54.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.601 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.0 ttpp -38.68 -63.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -55.71 -52.58 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.604 ' CG ' ' NE1' ' A' ' 62' ' ' TRP . 5.1 t60 -46.16 -25.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.616 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.0 t-105 -64.43 -68.12 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.014 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.441 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 68.8 m-80 -69.26 -3.5 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.6 m -72.8 -80.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -123.78 -13.13 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.616 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.6 mt -90.79 31.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 27.7 mmmt -147.62 118.9 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -71.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 5.9 tttt -69.46 77.03 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -150.2 -50.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 4.2 t70 38.27 71.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.451 ' CD1' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -75.37 174.05 6.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.564 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.1 Cg_endo -75.07 -179.96 5.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.512 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 10.5 t0 -63.13 172.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 82.38 19.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.564 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 5.8 t -75.09 -133.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.22 29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 110.79 80.04 1.08 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.63 10.09 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.661 ' CE3' HD21 ' A' ' 37' ' ' LEU . 8.8 m0 -76.7 144.58 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 p -134.83 -166.19 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -39.1 -56.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -44.27 -61.85 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.502 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 17.0 mp0 -52.12 -42.53 63.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.464 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -62.67 -37.52 86.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -59.06 -24.56 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.509 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 3.8 tttm -69.37 -50.77 43.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.524 ' CG1' ' CG1' ' A' ' 33' ' ' ILE . 2.0 t -48.83 -46.18 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.566 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -62.8 -32.9 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.12 -20.83 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.483 HD21 ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -78.83 -50.69 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.559 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 91.8 t -60.02 -38.04 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -66.79 -34.03 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -82.1 -25.75 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.624 ' CE2' HD23 ' A' ' 32' ' ' LEU . 4.2 m-30 -85.42 -59.0 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 47.76 108.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 164.22 -68.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.353 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER 166.41 48.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.84 93.11 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.583 ' CZ2' ' O ' ' A' ' 45' ' ' CYS . 44.3 m95 -100.35 -10.82 20.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -70.6 -41.93 71.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.57 -47.63 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' CG1' ' CG1' ' A' ' 18' ' ' VAL . 5.1 mp -58.1 -47.55 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.38 6.0 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' THR . 14.6 ttpt -111.79 -35.0 5.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.561 ' O ' ' CH2' ' A' ' 10' ' ' TRP . 12.5 m-70 -84.64 -45.59 12.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.661 HD21 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -103.28 67.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.81 -177.88 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 89.41 -35.6 3.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -116.32 32.09 6.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 41.12 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 44' ' ' GLN . . . -128.7 17.84 5.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLY . 5.3 tttm -40.0 -30.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 1.3 tm0? -98.79 54.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 30' ' ' TRP . 20.2 p -91.26 17.26 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 50' ' ' HIS . 3.7 mtm105 -158.35 101.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 23.2 tt0 -175.44 110.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 2.6 tmt_? 87.79 -22.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.566 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -111.36 -32.46 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.035 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -92.56 -78.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.614 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.806 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -68.89 67.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -149.54 -65.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.77 63.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -50.79 126.25 23.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -157.27 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.69 -168.37 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 58' ' ' LYS . 49.5 t -82.46 -101.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 4.4 mttt -149.97 -165.13 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -64.86 112.52 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.4 OUTLIER 165.49 155.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.049 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -91.02 23.13 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.595 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 93.1 m95 -94.7 -172.3 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.15 -169.87 2.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.414 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.0 mt-10 -76.49 -74.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.3 mt-10 -47.65 -33.83 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 3.1 mt-10 -64.23 -26.43 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -75.91 -61.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 69' ' ' ILE . 11.3 ptp180 -56.71 -53.01 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 65' ' ' GLU . 84.4 mt -46.19 -73.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 96' ' ' VAL . 29.6 mt -45.57 -51.58 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -50.2 -22.81 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.7 mt-10 -94.66 -47.49 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -54.99 -19.42 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.781 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.6 t-80 -83.5 -18.69 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 7.82 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 t -115.24 -32.43 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -122.2 -69.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.781 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.35 -124.67 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.64 21.61 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.504 ' HD3' ' CG ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.54 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.673 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.9 m95 -51.29 -36.52 42.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.21 -24.11 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.504 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 7.0 mm-40 -102.94 -35.48 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.534 ' CG2' HG13 ' A' ' 96' ' ' VAL . 4.2 mm -55.4 -54.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.18 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -60.45 -22.75 63.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.23 -13.94 39.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 5.2 mp -131.38 102.74 15.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 104.39 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.536 1.808 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.79 -24.34 0.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.531 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 26.8 mmt180 -133.56 155.63 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 p -96.91 -166.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.95 -47.13 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -14.75 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.57 -66.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.568 HG21 ' CH2' ' A' ' 62' ' ' TRP . 54.2 t -54.88 -55.39 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.625 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -36.85 -59.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.9 t-20 -59.74 -52.89 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.618 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 5.6 t60 -45.3 -25.6 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.598 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.7 t-105 -64.19 -68.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 107.972 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.45 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.7 m-80 -68.99 -3.89 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 68.4 m -72.17 -80.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.32 -13.28 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.618 ' CD1' ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -90.18 29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.5 OUTLIER -147.12 110.35 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -74.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 2.9 tttt -66.85 80.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 109' ' ' ASP . 1.3 t -99.04 -57.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.0 t70 38.75 72.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.574 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 4.0 tp 34.02 59.19 1.99 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' A' ' 2' ' ' ILE . 18.1 Cg_endo -75.05 -160.04 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.5 1.789 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -63.92 174.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.86 14.71 6.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 54.2 t -98.49 -25.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.58 18.37 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 167.3 71.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.48 6.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.654 ' CE3' HD21 ' A' ' 37' ' ' LEU . 7.9 m95 -79.39 171.52 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.469 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 18.4 p -152.08 -162.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 1.9 tttt -64.29 -26.46 68.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.01 -71.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -50.65 -40.22 52.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.406 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.8 m-20 -64.14 -37.06 86.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -59.99 -24.47 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -70.0 -54.32 13.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG12 ' CG2' ' A' ' 33' ' ' ILE . 2.8 t -48.03 -49.19 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.561 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -56.41 -39.43 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.84 -16.34 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.494 HD21 ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -85.72 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.457 HG13 ' NE1' ' A' ' 49' ' ' TRP . 91.9 t -48.22 -25.9 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -59.12 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -11.51 58.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.626 ' CD2' HD21 ' A' ' 32' ' ' LEU . 3.3 m-30 -95.43 -56.08 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 50.77 97.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 165.73 -60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER 177.99 -81.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.599 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 6.2 mt-30 40.2 53.05 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.603 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 37.9 m95 -65.92 -24.29 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -67.64 -42.27 82.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.771 ' O ' ' N ' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -54.36 -53.93 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.559 ' CG2' HG12 ' A' ' 18' ' ' VAL . 4.8 mp -47.18 -80.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.51 -49.47 5.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.5 ttmt -59.87 -38.51 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.771 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.5 m-70 -84.12 1.37 44.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.654 HD21 ' CE3' ' A' ' 10' ' ' TRP . 51.2 mt -154.97 93.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -95.47 -172.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.88 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.25 -168.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.83 138.7 31.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.66 7.82 60.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.3 OUTLIER -62.2 -137.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' LYS . 17.9 pt20 35.19 34.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.542 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -119.33 -171.89 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.603 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 47.4 mtp180 36.48 73.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -147.17 -45.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.97 71.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.46 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 21.3 p90 -107.51 -26.25 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.12 -52.85 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.688 ' N ' HD21 ' A' ' 51' ' ' ASN . 0.9 OUTLIER -100.4 86.75 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -163.62 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.577 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.12 153.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 12.8 t-20 176.15 64.4 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 18.4 Cg_endo -74.99 -157.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.33 -176.52 5.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 2.5 t -65.35 -37.86 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER 178.68 150.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -63.51 102.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 85.19 -152.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m 49.52 -146.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.058 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.755 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 40.7 m95 -61.98 -175.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 p -144.39 -155.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.1 mt-10 -79.74 -82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -46.63 -27.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.5 mt-10 -71.48 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.3 t70 -66.37 -52.85 42.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 69' ' ' ILE . 29.6 mmm-85 -55.46 -62.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 68' ' ' ARG . 52.3 mt -35.58 -50.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.463 ' CD1' HG12 ' A' ' 96' ' ' VAL . 1.2 mm -53.83 -64.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.8 t80 -59.3 -14.81 12.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -84.84 -33.8 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -85.29 -29.43 24.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.753 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.9 t-80 -65.56 -14.14 60.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -103.54 15.09 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -119.51 -37.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.97 -70.19 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.86 -116.76 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.27 20.04 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HD3' ' CG ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.6 55.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.611 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.3 m95 -51.71 -37.43 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -25.1 21.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.501 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 2.4 mm-40 -100.24 -41.32 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.503 ' CG2' HG13 ' A' ' 96' ' ' VAL . 4.0 mm -47.26 -44.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.84 -36.11 77.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -59.52 -19.23 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 mt -93.73 -16.31 24.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.77 101.41 18.51 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.96 -24.17 0.61 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.5 mmt180 -125.81 158.89 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.2 p -99.6 -164.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -50.6 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -14.22 35.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.64 -67.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.503 HG13 ' CG2' ' A' ' 84' ' ' ILE . 97.1 t -55.78 -53.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.611 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -61.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.9 t-20 -57.05 -41.92 79.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.755 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.6 t60 -53.24 -20.31 3.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.539 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.629 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -73.78 -43.78 57.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 54.0 m-80 -93.66 -0.92 55.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' ASN . 34.7 m -77.35 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 -6.83 3.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.629 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 16.3 mt -107.26 43.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.537 ' H ' ' CD ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -109.29 35.78 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -84.97 -75.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.67 69.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' ARG . 2.1 t -84.15 -53.42 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -152.85 78.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 5' ' ' LEU . 1.2 pp -150.33 163.4 24.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.04 161.73 38.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.797 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.582 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 11.6 t70 32.46 40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER 44.57 -167.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.457 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.8 t -69.32 -133.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.29 25.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 112.13 75.7 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.72 23.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.645 ' CZ3' HD21 ' A' ' 37' ' ' LEU . 11.0 m0 -61.15 150.95 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' LYS . 31.0 p -139.81 -163.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.6 tttt -38.72 -53.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -44.25 -72.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.628 ' CD ' ' CE3' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -50.59 -40.33 52.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 14.0 m-20 -63.53 -28.45 69.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.43 -28.49 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.65 -46.73 68.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.507 HG22 ' CG ' ' A' ' 37' ' ' LEU . 2.0 t -52.75 -45.58 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.579 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -57.27 -40.86 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.63 -25.18 63.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CB ' HD12 ' A' ' 32' ' ' LEU . 1.8 mt -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.494 HG23 ' CD1' ' A' ' 33' ' ' ILE . 3.4 t -52.52 -23.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -55.91 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.616 ' CD2' HD22 ' A' ' 32' ' ' LEU . 3.2 m-85 -84.31 -58.53 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 31.15 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 178.43 -63.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 0.74 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.27 45.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.25 87.09 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 33.5 m95 -93.65 -7.55 43.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.86 -40.67 91.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.01 -48.71 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.494 ' CD1' HG23 ' A' ' 22' ' ' VAL . 4.8 mp -57.97 -54.0 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.51 -5.3 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.4 tttt -99.78 -35.64 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.6 m170 -84.27 -48.11 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.645 HD21 ' CZ3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -105.7 80.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -74.16 -166.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.446 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 90.39 -18.84 47.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -137.19 153.91 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.92 -175.53 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.02 25.09 9.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -53.37 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.366 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.0 48.2 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.578 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -81.16 -42.55 20.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -89.72 -146.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 tt0 85.2 59.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -165.02 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CZ3' HG13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -91.14 -10.64 41.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.991 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -33.16 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.648 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.655 ' N ' HD21 ' A' ' 51' ' ' ASN . 1.1 m-80 -109.22 63.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.33 -79.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 mp 55.89 75.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -146.61 72.77 12.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -157.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.38 -169.67 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.62 22.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 67.76 58.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 33.95 -91.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 58' ' ' LYS . 83.8 p -53.29 166.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.7 OUTLIER 83.57 -154.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 74.5 m95 -63.78 176.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.022 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 p -124.87 -156.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mm-40 -83.78 -82.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -26.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.86 -42.71 66.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.82 -46.48 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.7 mmm-85 -55.95 -63.38 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ALA . 68.1 mt -37.08 -68.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.495 ' CD1' HG12 ' A' ' 96' ' ' VAL . 30.0 mt -49.68 -46.79 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.66 -14.98 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.9 pt-20 -127.58 21.41 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -121.57 -15.61 7.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.951 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 16.2 t-80 -90.56 -23.4 20.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.6 13.83 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 4.2 t -118.76 -33.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.494 ' CB ' ' HD3' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -121.68 -76.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.726 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 169.1 -140.96 6.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.487 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.57 28.14 3.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.518 ' HG3' ' CG ' ' A' ' 83' ' ' GLU . 2.7 ptm85 -74.42 48.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.951 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.8 m95 -41.58 -34.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.42 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' HG3' ' A' ' 80' ' ' ARG . 5.3 mm-40 -112.5 -47.4 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.511 ' HB ' ' HA ' ' A' ' 81' ' ' TRP . 4.1 mm -42.68 -36.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -77.45 -45.78 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -49.62 -23.52 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.55 -39.3 58.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' ALA . 13.1 mt -104.45 118.17 57.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.03 2.39 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.06 -25.32 1.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 25.4 mmt-85 -110.02 162.51 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.1 p -112.43 -55.86 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.3 -64.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -29.11 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -66.29 -66.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.497 HG13 ' CG2' ' A' ' 84' ' ' ILE . 58.7 t -56.45 -55.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.626 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -38.8 -66.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.1 t-20 -54.41 -53.9 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 28.6 t60 -43.44 -27.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.663 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 8.6 t-105 -62.8 -65.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.507 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 70.4 m-80 -75.69 -1.95 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.543 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 2.0 t -76.99 -74.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -114.98 -17.18 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.663 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 5.0 mm -86.8 28.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 15.2 mmtt -153.16 77.96 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -40.75 96.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 3.4 tttt -83.0 70.12 9.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.62 -46.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -154.77 81.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.391 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -113.28 170.56 5.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -163.25 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 4.1 t70 -64.56 174.16 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' CD1' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 78.16 15.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.475 ' C ' ' H ' ' A' ' 8' ' ' GLY . 36.4 t -106.23 -26.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 22.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.09 66.72 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 37' ' ' LEU . 7.9 m95 -76.36 170.52 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 19.9 p -152.16 -163.01 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLN . 10.5 tmtt? -60.21 -32.14 70.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -50.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 80.9 mm-40 -51.0 -39.62 56.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -64.92 -26.97 68.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.575 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 3.9 tttt -69.78 -39.52 76.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.508 HG12 ' CG2' ' A' ' 33' ' ' ILE . 7.4 t -64.32 -57.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.604 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -49.29 -29.65 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.19 -28.43 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.516 HD21 ' CE1' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -70.26 -41.13 73.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.421 ' HA ' ' HB2' ' A' ' 25' ' ' TYR . 44.4 t -69.6 -30.11 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -71.21 -27.85 63.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -26.82 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 26' ' ' GLY . 4.6 m-30 -86.82 -55.82 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.51 101.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 177.64 -66.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.444 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 27' ' ' THR . 12.8 tptt 178.65 37.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -111.44 91.67 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 50' ' ' HIS . 53.9 m95 -109.93 -12.54 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 -44.63 70.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.781 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -54.37 -18.95 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.508 ' CG2' HG12 ' A' ' 18' ' ' VAL . 17.1 mm -65.82 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . -72.88 -30.64 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -27.98 68.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.781 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 11.8 m170 -84.19 -53.19 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.587 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -106.67 96.22 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -84.06 -159.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.78 -56.89 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.68 166.12 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.99 116.65 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' ALA . . . -56.85 -24.24 48.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -153.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 40.98 31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 42' ' ' GLY . 25.4 p -118.48 -45.95 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -39.92 -54.33 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.91 86.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.46 ' C ' ' HB2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER 165.52 -21.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.604 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -155.22 -38.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.05 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 12.4 t-80 -62.23 -39.15 91.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.529 ' ND2' ' HD1' ' A' ' 50' ' ' HIS . 1.8 m-80 -108.95 -27.16 9.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.46 ' HB2' ' C ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -37.61 -43.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.57 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.28 113.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -97.25 111.62 58.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -157.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.82 -171.82 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' CE ' ' A' ' 58' ' ' LYS . 2.3 t -66.16 -18.47 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 174.19 62.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 33.74 87.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 84.43 -152.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.7 p 53.37 -146.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.6 m95 -61.84 175.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 59.8 p -135.63 -159.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASP . 4.3 mm-40 -78.04 -79.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 69' ' ' ILE . 6.4 mt-10 -44.67 -40.3 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 16.3 mt-10 -60.28 -36.88 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t0 -63.67 -52.71 59.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.8 mtp180 -59.44 -58.7 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.474 ' C ' ' O ' ' A' ' 68' ' ' ARG . 67.1 mt -34.92 -47.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -57.15 -66.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 1.5 t80 -58.71 -15.07 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -86.91 -17.54 32.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 84' ' ' ILE . . . -105.39 -28.95 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.775 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 11.6 t-80 -70.62 -14.09 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -103.98 14.04 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -119.55 -40.03 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.96 -73.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.775 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.47 -124.72 1.42 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 25.07 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.8 57.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.732 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 15.0 m95 -53.12 -36.49 60.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.49 53.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -100.5 -35.05 9.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.507 ' CG2' HG13 ' A' ' 96' ' ' VAL . 4.2 mm -56.15 -52.61 48.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -62.59 -39.43 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -48.62 -28.47 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -34.66 30.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.1 mp -114.62 105.81 53.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.62 8.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.64 -10.74 75.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.7 mmt180 -148.43 167.41 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.7 p -112.2 -171.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -66.14 -67.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -29.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 93' ' ' ASP . . . -69.09 -65.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.507 HG13 ' CG2' ' A' ' 84' ' ' ILE . 98.0 t -53.96 -56.35 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -39.75 -69.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 102' ' ' SER . 5.2 t-20 -55.45 -52.51 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.713 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 26.5 t60 -44.48 -30.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.686 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 6.3 t-105 -59.48 -65.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.499 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.5 m-80 -74.22 -3.19 28.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.588 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 7.5 t -75.06 -75.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -115.95 -14.41 11.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.686 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 2.8 mm -88.25 28.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 6.1 mmtt -152.64 114.07 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.3 OUTLIER -72.81 -67.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.73 72.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 106' ' ' ARG . 1.6 t -158.28 -53.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.1 t70 38.32 71.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.517 ' C ' HG13 ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.517 HG13 ' C ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER 58.39 147.36 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.507 ' HD2' ' CG2' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.96 -160.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -63.36 173.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.5 15.54 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.514 ' CG2' HG23 ' A' ' 2' ' ' ILE . 14.0 t -107.68 -22.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 19.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 170.04 65.51 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 140.45 25.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.599 ' CZ3' HD11 ' A' ' 37' ' ' LEU . 10.6 m95 -64.33 160.99 17.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.028 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.8 p -152.97 165.86 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' THR . 12.1 tttm -36.9 -49.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.613 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.07 -46.34 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' OE1' ' CD1' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -55.01 -41.31 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.451 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.9 m-20 -71.59 -70.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.613 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 2.5 pt20 -41.23 -36.57 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HD3' ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.65 -74.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.544 HG12 ' CG1' ' A' ' 33' ' ' ILE . 2.9 t -39.77 -36.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.586 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -62.73 -67.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -49.33 -21.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 32' ' ' LEU . 6.0 mt -76.6 -64.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' GLY . 11.4 t -50.36 -22.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.09 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -19.54 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.536 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -92.89 -57.01 2.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 25.48 93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -170.25 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.37 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER 165.93 -7.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -69.65 83.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.572 ' CE3' HD12 ' A' ' 33' ' ' ILE . 25.7 m95 -91.35 -0.78 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.57 -43.98 58.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.686 HD21 ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -50.83 -24.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.643 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 2.8 mp -71.95 -45.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' CB ' ' HA2' ' A' ' 42' ' ' GLY . . . -101.49 22.72 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -117.45 -32.98 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.686 ' CD2' HD21 ' A' ' 32' ' ' LEU . 6.3 m170 -84.9 -12.87 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.599 HD11 ' CZ3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -141.18 115.7 9.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.91 157.05 17.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.27 51.57 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER 170.45 158.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.13 137.92 33.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.483 ' HA2' ' CB ' ' A' ' 34' ' ' ALA . . . -68.01 -10.41 58.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.59 -147.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER 34.14 59.99 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 2.9 p -114.85 170.77 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.336 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.508 ' HB3' ' CD2' ' A' ' 50' ' ' HIS . 4.3 ptt180 35.15 88.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.7 38.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.51 -47.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.586 ' CZ3' HG13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -117.77 -8.15 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 108.016 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 25.3 t-80 -95.41 -40.25 9.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -112.29 59.32 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -130.29 -45.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.583 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' HIS . 1.2 tt -39.57 118.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -148.29 85.44 6.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -169.2 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.47 -9.86 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.479 ' CB ' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER 171.6 168.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.57 -24.9 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 97.1 p -140.12 66.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.479 ' OG ' ' CB ' ' A' ' 58' ' ' LYS . 12.5 p -177.99 -152.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.623 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.3 m95 -62.94 173.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 p -130.07 -157.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mt-10 -81.68 -80.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -45.29 -33.51 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.7 mt-10 -66.11 -38.71 88.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -61.23 -53.51 55.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 69' ' ' ILE . 15.6 mmm180 -56.59 -64.87 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.528 ' C ' ' O ' ' A' ' 68' ' ' ARG . 87.1 mt -30.87 -46.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -58.5 -62.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.676 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -56.88 -56.1 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -56.53 -16.53 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 69' ' ' ILE . . . -93.99 -39.69 10.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.799 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.1 t-80 -62.32 -13.41 28.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.577 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.23 15.3 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.5 t -120.15 -38.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -122.0 -70.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.799 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 149.55 -119.93 1.1 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.56 21.53 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.488 ' CD ' ' HB3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.6 55.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.68 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -51.63 -35.61 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.52 -24.36 55.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.488 ' HB3' ' CD ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -100.31 -36.79 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.519 ' CG2' HG13 ' A' ' 96' ' ' VAL . 3.8 mm -53.54 -51.34 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.95 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 1.85 28.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.43 159.99 30.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.32 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -151.64 -142.55 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' GLY . 29.4 mmt180 55.52 164.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 45.5 p -122.02 -64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' N ' ' OG1' ' A' ' 92' ' ' THR . 2.1 p-10 -176.43 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -14.16 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.31 -64.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.519 HG13 ' CG2' ' A' ' 84' ' ' ILE . 92.4 t -54.33 -58.04 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.636 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -38.9 -61.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.7 t-20 -59.18 -54.85 42.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.623 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 11.7 t60 -44.33 -28.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.548 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.672 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 7.2 t-105 -62.37 -67.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.8 m-80 -71.93 -2.81 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.538 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 63.4 m -73.32 -80.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -116.0 -15.4 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.672 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 9.8 mt -88.86 32.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 14.7 mmtt -153.22 100.8 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 108' ' ' VAL . 1.5 mtm180 -84.52 -69.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -65.92 72.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 105' ' ' LYS . 1.6 t -99.25 -40.17 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.9 23.75 3.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.3 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -160.02 167.01 14.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.491 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.04 -168.44 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -64.78 176.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 73.83 15.38 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.505 ' C ' ' H ' ' A' ' 8' ' ' GLY . 66.8 t -97.97 -26.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 23.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.7 70.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.59 6.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.663 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m0 -75.51 169.43 18.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.464 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.6 p -152.01 -172.98 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 tptt -49.51 -31.05 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -50.53 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 17.2 mp0 -50.87 -39.88 54.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.43 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 74.7 m-20 -63.12 -29.9 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -67.9 -26.97 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 17.5 tttt -65.56 -51.42 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.614 HG12 ' CG2' ' A' ' 33' ' ' ILE . 9.8 t -51.28 -56.1 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.513 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -54.08 -30.54 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.38 -24.23 32.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.535 HD21 ' CE1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -70.79 -43.43 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.621 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 45.6 t -70.55 -37.12 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -16.66 62.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.32 -23.62 12.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.637 ' CD2' ' NE2' ' A' ' 29' ' ' GLN . 4.4 m-30 -87.92 -57.28 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 41.74 101.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 174.45 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.391 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER 168.93 54.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.637 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 19.7 mt-30 -114.08 98.96 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.506 ' CH2' ' HA ' ' A' ' 46' ' ' ARG . 33.7 m95 -112.77 -6.11 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.062 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -84.48 -49.08 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.427 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.677 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -50.85 -23.49 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.614 ' CG2' HG12 ' A' ' 18' ' ' VAL . 2.3 mp -70.91 -45.23 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.18 18.71 16.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.73 -31.62 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.677 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 7.9 m170 -85.36 -51.9 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.663 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 5.9 mt -84.39 86.28 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -160.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -50.87 4.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.72 -178.55 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -72.55 149.99 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.57 144.69 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 80.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER 63.4 78.51 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.3 p -51.37 136.8 24.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.506 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 45.9 mtm-85 43.33 87.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -164.62 126.98 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 9.2 ttm-85 80.91 -3.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.621 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 7.0 m0 -129.5 -67.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.018 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -56.94 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.661 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -90.58 84.88 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.05 -45.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.51 112.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -171.8 80.45 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -157.74 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.05 -170.38 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 58' ' ' LYS . 93.0 t -83.23 -105.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER 40.31 -162.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER 58.23 -166.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.3 p -65.35 75.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' LYS . 4.6 p -177.14 -156.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.62 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 80.8 m95 -63.22 176.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.504 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -129.21 -166.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.25 -78.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.23 -27.16 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 20.7 mt-10 -72.33 -41.01 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.09 -50.89 72.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 69' ' ' ILE . 10.5 mtp180 -57.6 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' ARG . 76.1 mt -33.56 -38.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -68.14 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.31 -53.46 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 5.7 pt-20 -54.24 -47.23 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 72' ' ' GLU . . . -61.51 -40.25 93.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.78 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.0 t-80 -65.73 -13.58 59.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.581 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.55 7.14 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 4.7 t -118.25 -47.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.444 HD11 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -104.6 -76.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.86 -128.15 1.99 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 22.67 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.495 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.18 57.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.78 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -51.91 -34.74 42.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.5 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -102.57 -30.15 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.519 ' CG2' HG13 ' A' ' 96' ' ' VAL . 7.1 mm -57.87 -48.48 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -66.04 -40.02 90.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -29.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -44.15 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 mm? -95.93 113.17 61.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.15 -52.28 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.7 mmt-85 -85.54 152.05 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.5 p -110.61 -163.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.425 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -74.29 -64.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -42.14 -30.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 93' ' ' ASP . . . -69.51 -65.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.519 HG13 ' CG2' ' A' ' 84' ' ' ILE . 93.5 t -57.02 -59.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.1 ttpp -36.63 -59.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' SER . 7.6 t-20 -58.08 -56.98 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.62 ' CG ' ' NE1' ' A' ' 62' ' ' TRP . 5.7 t60 -44.02 -27.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.584 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 5.0 t-105 -63.36 -70.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.036 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.451 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 70.7 m-80 -68.66 -4.02 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.485 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.6 m -71.78 -81.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -121.56 -12.68 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.584 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.1 mt -92.82 34.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 8.5 mmtt -148.78 94.22 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.447 ' NE ' ' HB2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -61.98 -49.51 75.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.447 ' HB2' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -72.63 58.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -155.51 -48.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -88.41 45.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.48 HD13 ' CG1' ' A' ' 6' ' ' VAL . 24.7 pt -73.62 134.46 79.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.515 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -74.99 -159.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 5' ' ' LEU . 25.7 t70 -62.95 174.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 88.47 2.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 11.7 t -92.1 -130.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.49 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.19 80.62 0.78 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 123.81 8.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.686 ' CE3' HD21 ' A' ' 37' ' ' LEU . 8.1 m0 -73.91 139.85 45.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.8 p -129.06 -164.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.366 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -42.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.13 -55.46 3.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.517 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -53.01 -43.71 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.469 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 1.1 m-20 -62.89 -43.73 97.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -52.3 -24.54 7.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 8.9 tttm -71.46 -51.49 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.509 ' CG1' HG13 ' A' ' 33' ' ' ILE . 1.8 t -47.55 -35.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.566 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -66.08 -47.06 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.29 -37.98 89.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.541 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 3.0 mt -67.06 -46.26 74.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.574 HG12 ' CZ3' ' A' ' 49' ' ' TRP . 75.1 t -66.56 -15.01 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.07 -43.99 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -24.69 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.736 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 5.0 m-85 -85.42 -56.66 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.572 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 131.43 -108.71 0.82 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.572 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -179.42 55.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -132.66 -40.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 1.5 mp0 -73.41 -66.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.442 ' CD2' ' HB2' ' A' ' 45' ' ' CYS . 48.6 m95 68.73 4.69 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -79.28 -38.57 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.736 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 1.1 pp -54.44 -50.94 66.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' A' ' 32' ' ' LEU . 4.8 mp -46.37 -79.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . . . -45.89 -45.35 15.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 31' ' ' THR . 8.7 ttmt -56.65 -35.64 68.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.0 m170 -84.06 -66.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.686 HD21 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -86.22 60.77 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -66.51 -168.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 113.6 -42.06 2.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.66 34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' ALA . 3.0 mm? -92.06 -172.45 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.77 5.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.35 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 73.85 5.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 21.1 p -127.47 164.41 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 37.46 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -178.62 -40.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.44 ' O ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -89.45 -20.99 23.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CZ3' HG12 ' A' ' 22' ' ' VAL . 2.3 m0 -92.05 -43.25 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' HIS . 27.5 m-70 -62.42 -104.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.593 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.73 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -63.74 80.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -156.35 -51.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.555 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.05 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.7 t30 40.97 65.79 4.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -157.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.001 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.44 -167.71 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.428 ' O ' ' CD ' ' A' ' 58' ' ' LYS . 14.1 t -92.8 20.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 57' ' ' VAL . 0.6 OUTLIER 81.2 86.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 41.33 -161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 p -44.44 112.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p -179.33 -153.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.59 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 71.1 m95 -62.56 176.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.2 -166.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -74.45 -78.61 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.97 -34.62 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 22.5 mt-10 -65.47 -38.61 90.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.9 t70 -60.46 -52.6 64.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' ILE . 18.1 mmm180 -59.17 -61.41 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 77.9 mt -36.5 -50.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -57.07 -67.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -51.15 -19.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -80.2 -62.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' CB ' HD11 ' A' ' 84' ' ' ILE . . . -50.96 -36.39 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.731 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 13.8 t-80 -61.87 -14.25 32.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.57 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -121.55 -40.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.77 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.731 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 155.76 -119.54 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 22.12 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 56.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.6 m95 -52.52 -36.67 55.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.45 -23.39 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -101.91 -33.95 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.492 ' CG2' HG13 ' A' ' 96' ' ' VAL . 5.8 mm -52.94 -50.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.52 -45.31 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.05 -29.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -76.02 -50.7 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.2 mt -94.62 118.26 66.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.58 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.78 -23.08 0.62 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.494 ' HG3' ' CH2' ' A' ' 62' ' ' TRP . 21.6 mmt180 -108.06 170.76 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 40.7 p -123.37 -65.56 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.435 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -172.42 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -14.33 29.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.458 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -77.06 -68.05 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.492 HG13 ' CG2' ' A' ' 84' ' ' ILE . 67.0 t -56.03 -54.48 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.3 ttpp -40.79 -61.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -55.54 -53.52 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.595 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 4.7 t60 -45.18 -26.43 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.605 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 1.7 t-105 -64.27 -68.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.456 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.1 m-80 -68.95 -3.33 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.2 m -72.84 -81.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.32 -13.64 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.605 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.7 mt -89.95 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 16.1 mmmt -147.22 113.16 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -69.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 2.2 tttt -69.17 79.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' ASP . 1.1 t -153.89 -46.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.0 t0 38.71 71.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pt -75.09 159.43 82.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -74.93 -161.64 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.759 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -64.25 -174.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.89 19.36 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 65.1 t -74.99 -30.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.81 17.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.75 65.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.23 37.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.621 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 11.0 m95 -72.46 157.53 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.499 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.9 p -152.95 174.31 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.53 -31.11 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -63.5 -15.32 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' CD ' ' C ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -89.01 -42.92 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.533 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 10.5 pt20 -85.66 -42.39 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.5 ttmm -72.4 -51.75 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.508 HG12 ' CG2' ' A' ' 33' ' ' ILE . 3.0 t -55.85 -40.16 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.658 ' HA ' ' HH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -61.52 -53.06 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -17.6 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.543 ' CB ' HD22 ' A' ' 32' ' ' LEU . 1.3 mt -90.34 -48.41 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.552 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 59.6 t -50.09 -23.77 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 13.3 ptpt -91.58 -43.82 9.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -70.38 -11.79 61.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 3.3 m-85 -108.68 -49.54 3.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.82 -1.23 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 1.2 m 82.08 26.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 -67.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' HD11 ' A' ' 32' ' ' LEU . 2.8 mt-30 -74.39 83.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' CG ' ' A' ' 46' ' ' ARG . 27.9 m95 -67.59 -7.03 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -72.28 -42.25 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.689 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -51.45 -25.31 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 2.8 mp -71.94 -41.85 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.72 23.69 12.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -118.97 -32.8 4.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.689 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 6.0 m170 -84.19 -21.6 31.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.574 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.621 ' HB2' ' CH2' ' A' ' 10' ' ' TRP . 3.3 mm? -102.43 96.73 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 109.66 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 173.32 -30.95 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 79.68 60.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 3.0 mm? -86.47 -175.97 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.44 44.22 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -128.78 -74.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -70.69 61.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.6 p -100.15 140.83 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.586 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 50.4 mtt180 65.44 87.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -165.87 67.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -179.72 -42.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.658 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -109.98 -22.18 11.96 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.87 -72.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.727 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -40.59 -44.64 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -62.37 -52.74 62.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.32 56.49 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 3.0 t-20 -165.56 64.67 0.99 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.0 -157.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' PRO . 29.6 tt0 37.32 90.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.497 ' CG2' ' HB ' ' A' ' 63' ' ' THR . 4.2 t -73.39 -14.55 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER 61.21 138.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -27.65 59.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -45.5 -41.59 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p -164.25 170.44 16.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 22.5 m95 -65.16 -176.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.497 ' HB ' ' CG2' ' A' ' 57' ' ' VAL . 7.5 m -157.38 -133.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 mt-10 -95.05 -77.05 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -40.09 -66.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' CG ' HG13 ' A' ' 57' ' ' VAL . 1.5 mt-10 -46.78 -29.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 6.6 t0 -63.82 -59.24 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' GLU . 53.1 mtp180 -57.64 -54.48 46.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ARG . 96.9 mt -38.8 -50.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -55.86 -69.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -50.38 -20.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.481 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -77.17 -44.2 31.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' CB ' HG13 ' A' ' 84' ' ' ILE . . . -73.7 -35.89 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.744 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.8 t-80 -65.83 -14.39 61.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -103.66 16.31 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 6.5 t -125.88 -41.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.514 HD12 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -113.27 -77.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.744 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.99 -123.7 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 21.46 3.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.54 56.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.684 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.2 m95 -51.54 -34.62 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 108.032 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.76 -26.61 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.514 ' CG ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -110.41 -19.73 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.574 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -69.62 -47.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -62.61 -24.89 67.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.09 1.22 24.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 70' ' ' ILE . 25.3 mt -113.28 160.79 30.0 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.34 11.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -170.04 -135.34 1.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 90' ' ' GLY . 18.3 mmt180 55.35 165.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -119.89 -177.47 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -72.33 -43.67 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -14.25 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.42 -63.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 84' ' ' ILE . 57.6 t -59.89 -51.64 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 9.7 ttpp -43.43 -56.71 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -62.17 -36.76 82.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.618 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 9.6 t60 -61.2 -25.79 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.583 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 0.6 OUTLIER -64.8 -45.48 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.508 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 54.4 m-80 -89.96 1.47 56.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.519 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 28.8 t -75.39 -84.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.14 -7.13 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.618 ' CD1' ' CD2' ' A' ' 99' ' ' HIS . 7.3 mt -87.27 38.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 21.3 mmtt -112.4 -167.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -95.05 -80.81 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 59.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -118.61 -51.62 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.474 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 8.6 t70 36.67 62.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.459 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -75.46 177.85 2.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 2' ' ' ILE . 18.3 Cg_endo -75.01 -159.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 5' ' ' LEU . 22.9 t0 -62.09 167.41 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.478 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 0.3 OUTLIER 50.49 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 8' ' ' GLY . 2.7 t -121.72 -143.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.492 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 38.39 28.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.51 78.59 0.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.64 7.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.649 ' CE3' HD21 ' A' ' 37' ' ' LEU . 7.6 m0 -72.34 148.8 44.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.9 p -135.36 -167.79 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -40.32 -58.91 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -41.34 -56.97 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.7 mp0 -52.83 -44.92 67.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -62.2 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.571 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -53.93 -23.21 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.8 tttm -69.76 -53.46 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG12 ' CG1' ' A' ' 33' ' ' ILE . 2.2 t -45.77 -49.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.565 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -58.47 -37.7 65.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -76.65 -15.64 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.501 HD21 ' CZ ' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -85.1 -59.95 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.481 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 2.7 t -57.49 -24.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -73.19 -56.16 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -68.73 -20.8 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.71 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 3.9 m-30 -85.11 -58.6 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.22 96.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -178.45 -59.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER 166.58 54.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.558 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 31.3 mt-30 -120.28 97.15 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CZ2' ' CG ' ' A' ' 46' ' ' ARG . 35.5 m95 -113.91 -7.65 13.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.997 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -76.13 -39.98 53.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.71 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -52.97 -51.63 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.531 ' CG1' HG12 ' A' ' 18' ' ' VAL . 4.8 mp -43.09 -47.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.62 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.5 ttpt -74.02 -37.89 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.5 m-70 -84.48 -59.3 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.649 HD21 ' CE3' ' A' ' 10' ' ' TRP . 1.3 mt -87.88 76.41 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.94 -163.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.478 ' HA3' ' CD2' ' A' ' 5' ' ' LEU . . . 87.5 -33.68 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -174.9 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.2 mm? -69.95 141.34 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -35.72 129.76 0.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' GLN . 4.5 tptp -44.42 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.1 mp0 38.55 77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 26.6 p -48.47 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.621 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 6.0 mtp180 77.53 117.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' NE2' ' A' ' 52' ' ' HIS . 0.6 OUTLIER 165.6 -29.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.612 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -71.88 -42.45 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -110.1 -23.35 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -40.51 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.699 ' N ' HD21 ' A' ' 51' ' ' ASN . 0.9 OUTLIER -107.97 -160.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 23.1 m-70 80.32 -49.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.576 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.86 79.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 176.47 69.94 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -157.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.54 151.61 40.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 t -114.69 -11.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 176.51 -168.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -74.0 58.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.9 OUTLIER -140.84 -99.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.5 OUTLIER 160.73 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 91' ' ' ARG . 80.6 m95 -101.69 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 p -138.22 -167.75 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' ASP . 9.8 mt-10 -74.23 -73.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.6 mt-10 -46.02 -42.23 13.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -60.56 -23.17 64.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -78.88 -62.47 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 10.6 ptp180 -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 72' ' ' GLU . 31.4 mt -56.52 -76.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.1 mt -43.13 -45.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 3.7 t80 -48.34 -36.36 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 5.6 pt-20 -97.33 -34.55 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.498 ' HB2' ' CD1' ' A' ' 84' ' ' ILE . . . -54.33 -19.29 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.915 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 7.6 t-80 -87.15 -21.73 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -99.12 11.77 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 3.9 t -115.09 -18.35 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 -61.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.721 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 146.51 -65.48 0.42 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.507 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -158.09 24.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -70.87 60.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.915 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 19.0 m95 -51.75 -36.0 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.91 60.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' ARG . 17.6 mm-40 -104.28 -27.13 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.584 ' CG2' HG13 ' A' ' 96' ' ' VAL . 6.1 mm -61.89 -40.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -75.01 -26.89 59.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 7.2 mttt -56.68 -40.66 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.62 -2.94 28.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.43 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 81.9 mt -117.88 161.53 33.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.97 3.28 5.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.538 1.809 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.97 -133.4 2.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.598 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 58.8 mmt-85 73.0 2.69 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 80.7 p 36.74 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -27.19 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.16 -16.92 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 91' ' ' ARG . . . -89.52 -56.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.584 HG13 ' CG2' ' A' ' 84' ' ' ILE . 61.8 t -54.81 -52.68 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.599 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -51.13 -55.81 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.7 t-20 -59.86 -54.18 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.575 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 6.2 t60 -43.62 -28.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.599 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 3.4 t-105 -61.78 -68.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.005 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.473 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.2 m-80 -70.41 -4.14 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.534 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.3 t -71.34 -78.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.87 -12.65 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.599 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.8 mt -91.62 34.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 2.5 mmmt -144.94 103.75 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -40.84 97.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.8 55.41 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.51 -49.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -155.09 80.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.5 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 2.6 pp -126.05 143.53 45.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 1.58 7.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 5' ' ' LEU . 7.2 t70 -97.12 66.36 2.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' HA ' ' CG ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER 48.76 102.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.552 ' H ' ' HG3' ' A' ' 9' ' ' PRO . 32.4 t -82.88 -100.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.541 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -101.1 26.88 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.569 ' H ' ' HD3' ' A' ' 9' ' ' PRO . . . 99.1 64.66 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HD3' ' H ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.0 138.82 23.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.552 ' C ' ' HB3' ' A' ' 14' ' ' GLU . 28.4 m95 -112.7 -85.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.038 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.768 ' O ' ' N ' ' A' ' 14' ' ' GLU . 1.1 p 69.76 157.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttp -32.52 -38.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.635 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 2.3 tt0 -54.66 -28.81 49.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.768 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -67.86 -44.76 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.605 ' O ' HD11 ' A' ' 19' ' ' ILE . 12.9 m-20 -70.35 -65.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.635 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.95 -24.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.536 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 9.7 mttt -71.94 -81.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.593 ' CG1' HG13 ' A' ' 33' ' ' ILE . 49.8 t -48.76 -23.22 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.631 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -76.73 -76.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.04 -13.9 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.647 ' CD2' HD22 ' A' ' 32' ' ' LEU . 20.9 mt -84.1 -78.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.611 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 55.9 t -42.24 -26.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.7 mmtp -71.62 -54.2 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -75.83 -11.47 59.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 26' ' ' GLY . 2.8 m-85 -96.44 -59.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.24 99.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -178.04 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.6 tmtt? 166.62 41.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -104.63 73.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.525 ' CZ3' ' HA ' ' A' ' 46' ' ' ARG . 76.0 m95 -70.17 -18.82 63.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -65.97 -29.27 69.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.718 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.36 -20.6 64.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.593 HG13 ' CG1' ' A' ' 18' ' ' VAL . 3.0 mp -78.03 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 37' ' ' LEU . . . -66.35 -32.39 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' THR . 5.2 ttmm -64.84 -35.41 81.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 5.1 m-70 -102.39 29.08 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.541 ' CD2' ' HB2' ' A' ' 14' ' ' GLU . 46.2 mt -153.25 133.39 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 81.47 164.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.48 ' HA2' ' CD2' ' A' ' 5' ' ' LEU . . . -49.06 -22.29 3.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.3 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.32 -104.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . 103.04 23.05 8.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -38.14 -32.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mt-30 -71.11 80.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' ARG . 60.9 m -111.76 -175.44 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HA ' ' CZ3' ' A' ' 30' ' ' TRP . 55.5 mtt180 38.13 51.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.24 49.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 6.0 tpm_? -150.09 -47.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.611 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -115.64 -36.65 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.143 . . . . 0.0 108.037 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -51.22 -58.47 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -107.56 58.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -118.49 -35.8 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.596 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.68 84.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.558 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -76.55 -49.41 2.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 54' ' ' ASN . 18.3 Cg_endo -74.95 -157.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.544 1.813 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 55' ' ' PRO . 30.4 tt0 45.38 95.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.41 -22.22 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 176.7 137.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.3 OUTLIER -75.85 113.95 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 84.18 58.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 3.8 p 178.29 -151.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.611 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 60.5 m95 -64.23 173.49 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.1 p -131.28 -155.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.5 mm-40 -81.78 -82.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -34.6 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 31.7 mt-10 -64.17 -37.46 87.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t0 -66.57 -52.02 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -55.84 -60.52 3.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.6 mt -36.6 -49.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 96' ' ' VAL . 1.1 mm -52.98 -62.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.432 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 4.7 t80 -62.74 -14.99 51.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.537 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -87.71 -12.61 44.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 84' ' ' ILE . . . -109.18 -33.61 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.745 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 16.3 t-80 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 14.95 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.7 t -121.16 -40.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.78 -73.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.745 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 157.99 -122.81 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.17 23.84 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -71.67 57.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.685 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.7 m95 -52.67 -36.3 56.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.38 -22.47 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 80' ' ' ARG . 25.1 mm-40 -102.59 -30.54 10.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.532 ' CG2' HG13 ' A' ' 96' ' ' VAL . 4.6 mm -59.61 -48.78 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -64.15 -34.06 77.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 4.5 mmtp -56.66 -37.99 71.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.405 ' CD1' ' O ' ' A' ' 83' ' ' GLU . 9.2 mp -74.51 -14.53 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -94.99 166.19 15.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 2.83 6.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.23 104.95 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.2 mmt180 -154.17 22.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 6.4 p 45.69 -174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -98.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.34 -30.21 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 91' ' ' ARG . . . -67.7 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.532 HG13 ' CG2' ' A' ' 84' ' ' ILE . 89.1 t -53.39 -54.69 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.65 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -43.35 -64.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.9 t-20 -56.92 -51.67 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.611 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 6.0 t60 -44.82 -26.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.612 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.6 t-105 -63.81 -69.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.447 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.9 m-80 -67.82 -4.85 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 66.9 m -71.3 -79.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -122.39 -13.58 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.612 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.9 mt -92.05 35.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 5.0 mmtt -150.02 72.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -64.85 -58.66 5.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 84.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER -98.35 -50.25 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.46 32.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.385 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 2' ' ' ILE . 1.8 pp -119.99 139.58 28.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 2' ' ' ILE . 18.3 Cg_endo -75.03 5.0 4.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.521 ' O ' ' O ' ' A' ' 5' ' ' LEU . 3.0 t70 -104.73 72.87 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.521 ' O ' ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 44.37 100.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.518 ' H ' ' CG ' ' A' ' 9' ' ' PRO . 98.6 t -69.74 -105.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -84.01 35.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.685 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 79.67 47.85 7.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.685 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.625 ' CE3' HD11 ' A' ' 37' ' ' LEU . 11.8 m95 -115.93 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.54 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 1.2 p 70.11 -166.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -73.22 -18.59 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.64 -62.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.515 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -52.46 -22.09 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' HD11 ' A' ' 19' ' ' ILE . 14.2 m-20 -89.95 -22.7 21.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -81.57 -26.51 34.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -82.43 -54.44 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 37' ' ' LEU . 2.2 t -57.09 -29.98 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.607 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -72.82 -66.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.507 ' HA ' ' CG ' ' A' ' 23' ' ' LYS . 3.0 tt0 -51.84 -20.17 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' CD1' ' ND1' ' A' ' 36' ' ' HIS . 10.4 mt -86.88 -50.75 6.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.582 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 2.4 t -56.1 -38.85 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -73.19 -38.24 66.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -72.73 -21.8 60.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.618 ' CD2' HD22 ' A' ' 32' ' ' LEU . 3.3 m-85 -94.61 -50.54 5.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 126.42 1.27 7.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.492 ' CG2' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER 75.28 53.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 0.77 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -128.58 -62.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.56 78.27 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.495 ' CE3' HD12 ' A' ' 33' ' ' ILE . 54.3 m95 -63.36 -14.64 52.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.15 70.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -50.63 -49.08 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.495 HD12 ' CE3' ' A' ' 30' ' ' TRP . 4.1 mp -52.32 -38.67 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.47 12.76 32.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.68 -40.85 3.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.454 ' ND1' ' CD1' ' A' ' 21' ' ' LEU . 8.4 m-70 -83.47 -16.43 45.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.625 HD11 ' CE3' ' A' ' 10' ' ' TRP . 5.9 mt -125.78 69.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -86.29 44.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.491 ' HA3' ' CD2' ' A' ' 5' ' ' LEU . . . -84.42 -32.24 22.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 ttt180 -170.83 78.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.554 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.29 97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.27 41.5 2.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -67.95 -23.42 65.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.05 77.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' LYS . 23.3 p -79.76 167.05 21.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' CYS . 75.4 mtm180 36.22 90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HA ' ' ND2' ' A' ' 51' ' ' ASN . 33.5 tt0 -162.77 133.62 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 7.9 mmt85 66.2 19.39 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.607 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 1.2 t90 -140.27 -48.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER -98.46 -88.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.651 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -34.59 -38.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' HIS . 12.1 t-80 -43.01 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.583 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.414 ' CB ' ' O ' ' A' ' 52' ' ' HIS . 0.9 OUTLIER 170.41 -82.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 47.33 65.05 7.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -157.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.21 55.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 57' ' ' VAL . 3.7 t -102.14 0.51 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.61 -175.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 124.31 27.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 61' ' ' SER . 3.9 p 178.0 -104.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 60' ' ' SER . 8.5 t 165.09 38.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.607 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 76.9 m95 -103.87 -170.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 108.04 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -137.99 -159.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.3 mt-10 -79.65 -77.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.81 -33.17 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.8 -34.85 78.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.5 t70 -69.87 -55.39 9.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ILE . 8.0 mtp180 -59.17 -61.77 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' GLU . 74.6 mt -39.77 -73.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.8 mt -45.8 -53.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 3.7 t80 -54.4 -14.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -104.75 -43.95 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -49.97 -40.77 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.786 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.4 t-80 -61.77 -13.22 21.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.553 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.96 15.64 28.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -120.64 -39.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.786 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.92 -125.94 1.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.09 24.09 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 56.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.754 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.4 m95 -52.15 -36.45 51.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.82 -27.35 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.65 -34.83 10.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.481 ' CG2' HG13 ' A' ' 96' ' ' VAL . 5.2 mm -54.0 -52.17 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -62.84 -48.88 77.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -48.99 -27.59 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -36.21 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ALA . 20.4 mt -114.24 108.67 49.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 118.26 5.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.465 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . 144.56 -35.06 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.544 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 68.3 mmt-85 -120.08 157.02 29.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 0.744 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 p -103.84 -172.29 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -65.35 -65.42 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -29.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 93' ' ' ASP . . . -69.5 -64.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.481 HG13 ' CG2' ' A' ' 84' ' ' ILE . 55.5 t -56.99 -56.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.61 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.1 ttpp -39.61 -58.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.6 t-20 -60.56 -39.81 89.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.607 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.2 t60 -55.15 -17.8 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.666 ' CZ2' ' CG ' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -73.08 -49.44 28.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -87.92 -5.6 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.489 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 48.7 m -71.7 -79.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -129.96 -10.64 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.578 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 2.2 mm -90.51 31.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -124.66 39.99 3.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -61.8 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 98.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -160.25 -54.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -153.81 80.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.492 ' O ' ' CG2' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.689 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 2.2 pp -155.75 170.81 8.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.689 ' HD2' ' HB ' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.05 -153.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -75.96 145.04 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.47 HD21 ' CA ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER 56.86 104.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.616 ' CG2' ' CD1' ' A' ' 2' ' ' ILE . 7.5 t -86.67 93.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.83 19.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 95.01 83.97 1.64 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HG3' ' HA ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.99 111.22 3.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.724 ' CZ3' ' CD1' ' A' ' 37' ' ' LEU . 9.7 m0 -113.55 165.78 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' GLU . 71.3 p -154.71 172.94 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.8 tttt -39.81 -32.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.35 -51.05 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -54.1 -19.6 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.461 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -92.47 -28.55 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 4.6 pt20 -78.57 -30.15 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.17 -54.27 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.526 ' CG2' HG13 ' A' ' 33' ' ' ILE . 2.6 t -58.12 -24.37 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -71.91 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 5.7 pt-20 -49.65 -22.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 33.0 mt -78.03 -61.7 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.537 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 2.6 t -56.16 -18.73 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -77.72 -51.28 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -19.22 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.706 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.3 m-85 -93.71 -53.71 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.556 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 142.24 -99.9 0.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.607 ' C ' ' CE1' ' A' ' 50' ' ' HIS . 0.1 OUTLIER -178.37 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 0.807 . . . . 0.0 110.355 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.26 19.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 31' ' ' THR . 33.8 mt-30 -125.17 60.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.693 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 12.1 m95 -54.99 -19.65 7.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.041 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -56.49 -47.54 79.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.738 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -54.38 -19.59 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.526 HG13 ' CG2' ' A' ' 18' ' ' VAL . 4.6 mp -90.14 -43.64 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.73 19.96 9.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 31' ' ' THR . 3.5 ttmm -122.06 -40.07 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.738 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 4.9 m-70 -82.93 -8.53 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.724 ' CD1' ' CZ3' ' A' ' 10' ' ' TRP . 0.9 OUTLIER -136.65 95.41 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.73 77.56 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.47 ' CA ' HD21 ' A' ' 5' ' ' LEU . . . -152.54 -39.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' HB2' ' NE1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -127.81 -170.48 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.7 -173.5 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' C ' ' CE3' ' A' ' 30' ' ' TRP . . . -148.69 84.65 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' N ' ' CZ3' ' A' ' 30' ' ' TRP . 7.2 tmtt? -169.3 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -96.46 85.45 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -163.52 -89.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.693 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -81.85 81.61 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.76 -49.94 7.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.3 44.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.578 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 10.9 t90 -155.92 -47.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.607 ' CE1' ' C ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.584 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' HD21 ' A' ' 51' ' ' ASN . 1.3 m-80 -113.35 48.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.4 m170 -124.17 -85.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.642 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mt 56.06 -91.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' HIS . 7.1 t-20 59.87 67.14 1.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -157.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.46 114.46 14.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 62' ' ' TRP . 2.4 t -90.77 19.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.36 153.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 61' ' ' SER . 3.5 mptt -66.01 -71.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.412 ' C ' ' OG ' ' A' ' 61' ' ' SER . 0.5 OUTLIER -67.81 67.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -178.99 -161.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.999 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.682 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 43.2 m95 -63.67 177.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 p -141.93 -155.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mt-10 -81.25 -83.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -25.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.478 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 6.7 mt-10 -72.11 -44.73 62.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLU . 7.8 t0 -60.37 -50.59 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ILE . 22.0 mmm180 -54.38 -65.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' ARG . 68.8 mt -36.66 -43.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -61.68 -70.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -45.47 -26.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 75' ' ' LYS . 5.7 mt-10 -78.81 -73.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.41 -25.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.763 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.1 t-80 -67.05 -46.2 75.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.565 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.9 pttt -82.41 6.04 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.4 t -114.87 -13.93 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.523 ' CB ' ' HB2' ' A' ' 80' ' ' ARG . 1.6 mt -127.85 -48.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.5 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 97.12 95.07 1.89 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 44.02 22.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.24 49.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.763 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 8.9 m95 -45.61 -34.38 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 108.024 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.88 -23.66 19.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ARG . 14.3 mm-40 -115.76 -45.99 2.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.5 ' HB ' ' HA ' ' A' ' 81' ' ' TRP . 1.0 OUTLIER -42.62 -33.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -79.5 -44.04 22.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' GLU . 12.0 mtpt -50.92 -24.21 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -35.82 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.3 mp -107.42 114.96 60.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.58 5.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.89 1.93 23.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -132.83 125.67 30.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.2 p -88.29 -174.48 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 12.8 p-10 -72.56 -31.12 65.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -17.06 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -61.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.496 HG13 ' CG2' ' A' ' 84' ' ' ILE . 42.4 t -65.21 -59.78 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.595 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 12.0 ttpp -34.52 -43.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 8.2 t-20 -73.55 -58.15 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 6.0 t60 -44.84 -27.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.587 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 4.0 t-105 -63.34 -68.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.414 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.2 m-80 -69.75 -3.55 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.495 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 71.1 m -72.17 -81.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -121.69 -13.05 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.587 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.5 mt -91.81 34.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.1 mmmt -150.13 117.72 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -69.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 3.1 tttt -69.56 77.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 t -152.1 -47.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -152.95 77.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.486 ' C ' ' CG1' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.486 ' CG1' ' C ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -174.31 171.24 1.5 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.77 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.99 -168.96 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.769 . . . . 0.0 111.057 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.492 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 13.4 t0 -64.93 178.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 84.84 15.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 3.7 t -95.77 -133.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.44 29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.94 79.55 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.93 18.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.666 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.1 m0 -85.07 157.53 20.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 14' ' ' GLU . 31.7 p -147.66 -164.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -39.27 -54.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -44.76 -40.57 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.666 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -57.5 -48.03 80.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.505 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -61.19 -43.82 98.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -55.49 -21.61 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -70.83 -58.78 3.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' CG2' ' A' ' 33' ' ' ILE . 41.8 t -44.59 -32.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.63 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -71.12 -51.7 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -25.53 67.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -74.44 -63.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 26' ' ' GLY . 77.3 t -47.85 -21.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -75.62 -47.13 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -3.54 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 3.2 m-85 -108.53 -53.55 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.56 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 117.11 -92.63 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.56 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -179.89 36.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.791 . . . . 0.0 110.426 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -34.72 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.415 ' O ' HD11 ' A' ' 32' ' ' LEU . 22.9 mt-30 -109.61 70.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.417 ' HA ' HD11 ' A' ' 33' ' ' ILE . 58.3 m95 -62.9 -11.6 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.575 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.18 -43.52 77.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.761 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -52.27 -25.62 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.578 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 1.9 mp -75.21 -42.81 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.46 16.82 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -116.37 -24.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.761 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 9.0 m170 -89.73 -49.35 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 14' ' ' GLU . 3.4 mt -83.96 80.76 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -74.5 -165.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.63 -51.86 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.6 -175.88 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.18 177.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.37 -122.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.67 72.23 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 65.28 100.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.0 p -79.91 121.44 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 63.29 88.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -171.17 44.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.42 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.477 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.57 -31.57 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.032 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.85 -42.27 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -111.62 90.69 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.2 -63.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.623 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.9 93.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.409 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 4.8 t-20 -168.62 64.91 0.62 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 18.2 Cg_endo -75.0 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.05 -171.56 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.93 -43.2 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 59' ' ' LYS . 17.8 ttpt -179.16 76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 35.44 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.6 ' O ' ' CB ' ' A' ' 61' ' ' SER . 59.6 p -44.06 169.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.6 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.5 m 94.15 -147.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.706 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 45.1 m95 -61.02 172.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.0 p -134.5 -156.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mm-40 -78.37 -81.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.05 -37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 20.7 mt-10 -61.98 -41.03 97.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -59.37 -54.79 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.2 mmp_? -54.92 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 68' ' ' ARG . 84.6 mt -33.78 -50.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.448 ' CD1' HG12 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -54.31 -65.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.592 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -61.08 -13.16 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -94.18 -12.95 27.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.477 ' CB ' HD11 ' A' ' 84' ' ' ILE . . . -111.83 -18.06 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.864 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 30.1 t-80 -76.0 -24.4 55.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 11.7 33.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -112.33 -24.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' CB ' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -122.15 -60.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.646 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.3 -54.92 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -161.34 24.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.435 ' CG ' ' HG3' ' A' ' 83' ' ' GLU . 3.2 mpt_? -71.87 61.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.864 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 15.6 m95 -55.17 -37.13 66.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.12 -16.51 13.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 3.6 mt-10 -109.83 -40.59 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.518 ' CG2' HG13 ' A' ' 96' ' ' VAL . 5.7 mm -47.24 -40.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.56 -38.11 88.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 38.0 mttt -50.53 -21.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.66 -31.0 18.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.4 mm? -93.65 159.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 83.11 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.9 98.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.574 ' HD2' ' CH2' ' A' ' 62' ' ' TRP . 30.2 mmt180 -146.2 16.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' ARG . 22.4 p 36.65 -105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.95 -46.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.75 -14.99 24.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.94 -67.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.518 HG13 ' CG2' ' A' ' 84' ' ' ILE . 92.9 t -56.39 -58.96 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.8 ttpp -38.44 -59.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.64 -40.13 86.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.706 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 3.4 t60 -59.48 -25.16 64.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.661 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 1.6 t-105 -66.81 -47.93 70.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.031 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.444 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 58.9 m-80 -87.83 1.19 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 47.7 m -76.7 -77.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.21 -8.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.661 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 9.1 mt -98.14 39.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.536 ' HD3' ' C ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -129.45 47.79 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -79.01 -60.84 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -64.71 79.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 106' ' ' ARG . 2.1 t -150.29 -48.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.58 38.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.494 ' C ' ' CG1' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.512 ' HB ' ' CG2' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -174.81 145.92 0.96 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.54 ' O ' ' O ' ' A' ' 5' ' ' LEU . 46.2 t0 -70.61 136.84 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 41.99 99.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 7' ' ' LYS . 24.2 t -71.52 -99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.529 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.0 34.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.0 49.33 7.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.656 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.632 ' CH2' ' CB ' ' A' ' 37' ' ' LEU . 10.6 m0 -113.17 164.97 12.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.4 p -153.03 170.85 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 3.5 tttt -42.56 -32.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.656 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.92 -44.87 94.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER -56.57 -40.21 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 17' ' ' LYS . 2.2 m-20 -73.86 -68.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.656 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.47 -24.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' C ' ' N ' ' A' ' 19' ' ' ILE . 16.2 mttt -70.35 -80.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 33' ' ' ILE . 39.2 t -41.88 -26.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.539 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -72.53 -82.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 4.0 mt-10 -52.64 -18.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.52 ' CD1' ' ND1' ' A' ' 36' ' ' HIS . 77.9 mt -76.52 -65.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.517 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 2.1 t -49.57 -24.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -34.64 50.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 21' ' ' LEU . 4.1 ttpt -93.85 -5.38 48.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.717 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 4.0 m-85 -111.43 -52.3 2.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.55 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 120.78 -106.68 1.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.55 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.14 54.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.392 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.27 -40.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.574 ' OE1' ' CD2' ' A' ' 25' ' ' TYR . 4.8 mt-30 -74.83 -66.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 46' ' ' ARG . 37.5 m95 68.64 -0.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -76.3 -39.06 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.717 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -52.46 -46.97 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.499 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 4.6 mp -54.46 -38.09 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . -94.68 10.48 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -117.91 -42.23 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.52 ' ND1' ' CD1' ' A' ' 21' ' ' LEU . 7.7 m-70 -84.22 1.86 42.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.632 ' CB ' ' CH2' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -141.05 142.75 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 79.8 139.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.48 0.18 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -170.03 -52.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 3.3 mm? -63.89 -169.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.496 ' HA3' ' CB ' ' A' ' 34' ' ' ALA . . . -172.67 30.94 0.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.89 -29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.8 tt0 -82.89 56.45 3.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -89.55 164.08 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.57 ' HG2' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 36.32 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.64 54.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.616 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -154.5 -44.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.539 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -121.53 -8.0 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -80.77 -54.48 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.586 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.3 m-80 -108.02 78.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 19.0 m-70 -149.86 -59.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.93 -76.44 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 41.44 71.97 1.19 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -157.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -139.44 -171.44 3.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.2 t -78.88 -5.41 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 3.9 mttt 165.91 165.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -6.51 44.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 p -161.8 73.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 2.1 p 179.09 -150.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.581 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 71.8 m95 -62.8 175.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 -166.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mt-10 -75.13 -79.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.43 -33.21 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.8 mt-10 -66.64 -40.98 88.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 10.5 t0 -60.34 -53.16 60.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ILE . 28.1 mmm-85 -54.87 -61.73 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.475 HG23 ' CD2' ' A' ' 88' ' ' LEU . 68.6 mt -37.67 -43.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -63.36 -68.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -49.47 -20.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -82.05 -69.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.475 ' N ' ' CG ' ' A' ' 72' ' ' GLU . . . -48.39 -37.85 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 32.0 t-80 -59.12 -29.37 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.571 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.5 pttt -93.62 11.03 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 t -117.9 -20.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' CD2' ' HG2' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -123.77 -63.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.609 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.8 -57.62 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.78 23.91 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.85 59.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -52.91 -36.21 59.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.85 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.499 ' CG ' ' HB3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -105.26 -30.12 9.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.595 ' CG2' HG13 ' A' ' 96' ' ' VAL . 8.2 mm -54.35 -49.1 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -62.78 -35.65 80.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.18 -18.85 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -93.23 16.69 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.501 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -138.11 179.34 1.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.49 112.91 1.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.477 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -153.12 21.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.322 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 25.0 p 43.3 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.11 -46.67 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.8 OUTLIER -50.83 -32.64 20.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 91' ' ' ARG . . . -66.59 -64.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.595 HG13 ' CG2' ' A' ' 84' ' ' ILE . 73.9 t -54.95 -62.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.3 ttpp -38.24 -58.08 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 94' ' ' ASN . 18.5 t-20 -58.15 -54.56 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 5.6 t60 -44.9 -26.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.602 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.6 t-105 -64.23 -68.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.96 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.4 m-80 -69.23 -3.43 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.486 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.4 m -72.4 -80.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.09 -13.37 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.7 mt -90.29 30.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.4 OUTLIER -148.1 118.49 7.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -79.61 -65.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.78 67.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -149.84 -52.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -154.22 73.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 179.984 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.525 ' CD1' ' CG2' ' A' ' 6' ' ' VAL . 1.4 pp -151.1 120.85 3.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.38 7.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.481 ' HB3' ' CA ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -82.85 -170.38 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.463 ' C ' HG21 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -71.65 132.35 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.525 ' CG2' ' CD1' ' A' ' 2' ' ' ILE . 4.9 t -132.03 -43.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 6.69 10.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 179.26 61.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.01 165.47 31.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.691 ' CE3' ' CD2' ' A' ' 37' ' ' LEU . 11.9 m0 -53.5 150.13 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' LYS . 43.9 p -133.7 -166.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -37.37 -60.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -41.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.617 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -51.33 -37.76 49.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 14.6 m-20 -64.06 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -60.74 -31.51 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.547 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 27.9 tttt -68.58 -46.16 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG12 ' CG2' ' A' ' 33' ' ' ILE . 2.1 t -49.1 -53.62 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.59 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -55.26 -33.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -20.33 63.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.511 HD21 ' CE1' ' A' ' 25' ' ' TYR . 1.3 mt -83.72 -63.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.9 t -48.75 -24.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 -63.5 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -12.71 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.723 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 4.3 m-30 -94.72 -56.16 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 51.19 102.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.56 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.6 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.383 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 29' ' ' GLN . 2.9 ttmt -179.82 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.461 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 3.1 mt-30 40.39 42.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -64.64 -13.24 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -78.97 -42.42 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.723 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -54.04 -53.85 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.577 ' CG2' HG12 ' A' ' 18' ' ' VAL . 4.4 mp -38.79 -72.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . . . -60.18 -57.91 10.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -42.42 -27.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.582 ' CD2' HD11 ' A' ' 32' ' ' LEU . 8.8 m-70 -86.37 -52.94 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.691 ' CD2' ' CE3' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -102.22 98.72 8.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -106.29 -168.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.481 ' CA ' ' HB3' ' A' ' 4' ' ' ASP . . . 74.0 26.26 69.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER 170.92 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.271 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.502 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 32.7 93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 34' ' ' ALA . . . -68.72 55.73 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -125.5 -138.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' LYS . 6.6 tm0? 34.42 35.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -113.05 -36.21 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -34.08 -40.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.2 60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.73 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.94 -15.43 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.03 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -107.15 -31.04 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 109.57 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.612 ' N ' HD21 ' A' ' 51' ' ' ASN . 1.2 m-80 -109.53 62.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -141.63 -82.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.603 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.51 98.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' HIS . 4.5 t-20 173.85 104.08 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -157.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -151.47 162.76 40.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.6 t -81.41 4.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -167.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 71.07 47.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 84.15 154.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.8 OUTLIER 80.91 -157.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.65 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 52.2 m95 -63.39 172.39 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 78.0 p -132.97 -158.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.7 mm-40 -77.76 -79.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -40.62 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 1.3 mm-40 -60.55 -37.63 81.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.2 t70 -62.29 -50.92 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.8 mmp_? -60.76 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' ARG . 81.2 mt -36.77 -50.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -55.07 -65.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -47.67 -31.48 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 7.6 mt-10 -70.03 -63.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -53.27 -27.31 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.723 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.1 t-80 -77.02 -23.38 52.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -97.37 12.02 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 4.0 t -118.72 -33.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -121.42 -76.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.723 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.45 -123.77 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 21.92 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.02 56.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 14.8 m95 -50.94 -33.97 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.997 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.06 71.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 4.2 mm-40 -106.57 -9.65 16.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -82.09 -42.17 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.41 -32.68 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -70.66 -6.98 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -75.08 -9.86 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.402 ' CD1' HG22 ' A' ' 69' ' ' ILE . 11.5 mt -144.55 151.01 49.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 84.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . 141.8 152.44 5.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.65 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 1.7 mpp_? 75.2 137.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -99.71 -168.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.359 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -48.94 22.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -14.89 24.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.488 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -77.74 -65.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.488 ' CG1' HG22 ' A' ' 84' ' ' ILE . 57.6 t -60.55 -50.2 81.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.634 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 10.4 ttpp -40.85 -61.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' SER . 5.3 t-20 -58.3 -53.32 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.646 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 5.9 t60 -44.58 -27.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.609 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 3.1 t-105 -63.17 -69.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.468 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.7 m-80 -68.93 -4.08 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.496 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.3 m -72.03 -81.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 -13.8 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.609 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.6 mt -91.69 34.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.3 OUTLIER -150.85 81.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -41.86 97.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -83.57 71.77 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' ASP . 1.0 OUTLIER -155.69 -47.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' VAL . 10.1 t70 38.26 66.37 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.995 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.468 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -110.44 146.34 34.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 2.38 6.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -129.89 158.32 39.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.3 11.89 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 8' ' ' GLY . 6.5 t -113.76 -133.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 3.8 mmmt 37.79 30.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 126.59 79.08 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.575 ' CD2' ' O ' ' A' ' 36' ' ' HIS . 10.0 m95 -72.1 133.02 44.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 54.4 p -120.54 -163.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -61.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -44.07 -41.17 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 10' ' ' TRP . 2.0 mp0 -67.16 -43.84 81.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.496 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -61.51 -60.21 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -45.47 -25.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' GLU . 1.2 tttm -64.15 -56.68 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.589 HG12 ' CG2' ' A' ' 33' ' ' ILE . 2.6 t -43.72 -53.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.589 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -56.7 -33.46 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LYS . 2.2 tt0 -82.82 -16.18 48.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.508 HD21 ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -83.48 -45.84 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.31 -33.83 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -36.14 71.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.69 -26.71 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.704 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 4.2 m-30 -84.69 -55.14 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 56.7 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.555 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.96 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.436 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 177.12 -80.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 5.8 mt-30 40.28 49.04 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 24.6 m95 -68.88 -8.74 46.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.04 -37.92 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.704 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -63.78 -55.71 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.589 ' CG2' HG12 ' A' ' 18' ' ' VAL . 4.4 mp -39.34 -60.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 36' ' ' HIS . . . -63.46 -64.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -25.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.613 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.6 m-70 -87.32 -56.86 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.53 ' CD1' ' CG2' ' A' ' 18' ' ' VAL . 3.9 mt -107.99 121.67 45.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 81.74 118.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.26 -16.27 26.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -98.68 -160.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.93 -12.98 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.63 -122.08 3.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -167.17 46.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 83.39 47.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.339 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -58.27 179.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 73.59 -58.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.62 77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER 178.13 -53.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.589 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -125.5 0.81 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.035 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 46' ' ' ARG . 45.7 t-80 -102.0 -76.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.648 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -104.92 41.65 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -109.28 -72.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 66.77 143.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -43.12 156.44 0.26 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -157.12 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.28 -167.78 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 58' ' ' LYS . 2.4 t -94.74 29.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 4.8 pttt 36.62 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.13 -175.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.9 p -44.14 -90.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.8 p 38.91 -153.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.563 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 69.0 m95 -61.86 175.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 108.044 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.465 ' CA ' HG23 ' A' ' 57' ' ' VAL . 11.0 p -121.37 -157.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASP . 6.2 mm-40 -81.52 -80.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.84 -32.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 2.5 mt-10 -66.27 -39.48 89.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -67.99 -48.72 64.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -58.31 -62.03 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' ALA . 77.6 mt -37.62 -69.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 ' CD1' HG12 ' A' ' 96' ' ' VAL . 38.9 mt -48.42 -49.55 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -61.27 -14.79 29.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mm-40 -125.63 19.18 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -116.76 -26.79 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.92 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 12.3 t-80 -78.32 -19.74 52.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 18.01 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 3.3 t -126.82 -40.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.501 ' CB ' ' HD3' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -109.79 -76.8 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.715 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 165.8 -139.93 6.07 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.459 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.0 17.24 15.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HD3' ' CB ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.63 55.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.92 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.7 m95 -46.71 -34.34 5.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.032 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.83 -16.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 81' ' ' TRP . 27.7 mm-40 -109.53 -44.22 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.485 ' CG2' ' CG1' ' A' ' 96' ' ' VAL . 3.4 mm -44.26 -45.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -68.31 -44.92 74.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -45.98 -31.91 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.59 -39.35 52.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 1.5 mp -108.14 102.01 44.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.41 7.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.48 -27.49 2.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.563 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.1 mmt180 -119.43 154.81 33.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.1 p -95.56 -170.22 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -73.68 -47.6 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -14.08 38.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.78 -68.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.501 HG21 ' CH2' ' A' ' 62' ' ' TRP . 58.2 t -55.36 -50.51 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.7 ttpp -42.33 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.19 -50.58 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.588 ' HA ' ' CB ' ' A' ' 102' ' ' SER . 23.7 t60 -44.54 -29.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.673 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 5.4 t-105 -59.23 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.495 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 67.9 m-80 -73.34 -3.78 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.588 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 12.6 t -73.69 -76.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -116.87 -12.91 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.673 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 4.0 mm -89.57 28.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 1.7 mmtm -152.55 81.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.571 ' H ' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -64.08 -66.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.51 104.32 7.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 105' ' ' LYS . 2.0 t -128.75 -49.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.78 16.37 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.961 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.578 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 4.1 tp 33.59 59.53 1.79 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.02 -161.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -69.96 149.02 48.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.14 7.13 6.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.532 HG13 ' CD1' ' A' ' 2' ' ' ILE . 24.6 t -118.85 -25.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -79.49 15.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . -178.19 64.45 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.596 ' CZ3' HD11 ' A' ' 37' ' ' LEU . 10.4 m95 -65.17 158.5 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.4 p -152.86 165.41 35.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 5.1 ttmt -37.54 -35.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.653 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -53.92 -46.92 71.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' HG2' ' HB3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -54.79 -42.84 72.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.5 m-20 -75.19 -72.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.653 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -35.74 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' ASP . 6.2 ttmt -74.35 -73.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.564 HG12 ' CG2' ' A' ' 33' ' ' ILE . 4.7 t -42.29 -35.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.584 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -65.93 -48.15 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . 3.5 tt0 -64.97 -25.32 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 25' ' ' TYR . 1.1 mt -76.89 -56.2 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 18' ' ' VAL . 16.7 t -55.82 -19.82 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -46.06 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -14.18 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.597 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -97.82 -56.87 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 19.68 94.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -165.86 -55.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.423 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.4 mttt 166.26 -10.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -69.38 82.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.614 ' CE3' HD12 ' A' ' 33' ' ' ILE . 25.2 m95 -89.46 2.21 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 108.024 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -74.33 -46.49 40.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.69 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -52.15 -23.97 6.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.614 HD12 ' CE3' ' A' ' 30' ' ' TRP . 2.5 mp -73.41 -46.24 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.61 21.31 11.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 31' ' ' THR . 20.8 ttpt -118.66 -33.6 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.69 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 7.2 m170 -84.08 -3.98 58.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.596 HD11 ' CZ3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -147.8 115.79 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 143.87 44.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.06 4.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.68 179.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.86 179.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.85 -112.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -172.18 80.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER 40.49 92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.445 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 14.9 p -80.35 160.13 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 36.58 79.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -177.03 42.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.497 ' NH2' ' NE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -174.32 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.503 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -113.57 -20.16 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.026 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -90.0 -43.11 10.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -110.59 93.03 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.497 ' NE2' ' NH2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -172.53 -53.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.59 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.76 96.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' HIS . 42.6 t30 -131.69 74.51 77.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -157.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.02 -170.45 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.2 t -67.56 -27.02 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER 170.07 153.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -33.72 76.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.4 p -121.52 -149.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.83 -150.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.613 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 46.9 m95 -62.82 173.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.032 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.8 p -135.31 -161.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.5 mm-40 -74.75 -77.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.44 -42.1 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.2 mt-10 -60.8 -34.14 74.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.8 t70 -63.06 -56.34 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.2 mtp85 -56.88 -58.08 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' ARG . 93.7 mt -38.64 -53.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -53.81 -70.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -46.51 -23.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -76.79 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.463 ' CB ' HG13 ' A' ' 84' ' ' ILE . . . -57.79 -26.45 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.708 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.2 t-80 -77.14 -16.92 58.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 12.8 36.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.9 -40.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -113.3 -76.32 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.708 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 156.16 -120.07 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.167 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.2 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.03 57.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -51.88 -33.53 37.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.423 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -62.6 -28.69 70.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -108.87 -9.66 15.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -81.41 -43.48 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -73.03 -38.26 66.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 82' ' ' ALA . 21.9 mtmt -65.15 70.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 85' ' ' ALA . 2.9 mt -153.64 -44.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -119.03 162.38 31.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 87.93 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 91' ' ' ARG . . . 149.26 142.22 3.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CH2' ' A' ' 62' ' ' TRP . 16.1 mmt180 78.08 152.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -117.63 -51.89 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -173.49 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -19.98 64.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -67.05 -63.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.484 ' CG1' HG22 ' A' ' 84' ' ' ILE . 59.1 t -61.13 -51.96 67.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.621 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -56.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.88 -54.28 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.613 ' CG ' ' NE1' ' A' ' 62' ' ' TRP . 4.8 t60 -45.92 -25.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.613 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.0 t-105 -64.29 -68.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.463 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.8 m-80 -68.79 -3.46 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 67.1 m -72.97 -80.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.31 -13.44 7.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.613 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.3 mt -90.73 30.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.8 mmmm -147.21 113.14 5.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.2 -69.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.77 81.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.8 OUTLIER -151.03 -51.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.8 t0 38.57 71.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' CA ' HD23 ' A' ' 41' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 5' ' ' LEU . 1.2 pp -100.22 162.41 21.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.3 7.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.791 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 6' ' ' VAL . 2.1 t70 -92.42 175.32 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 2' ' ' ILE . 0.1 OUTLIER 49.65 22.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.409 ' N ' ' C ' ' A' ' 4' ' ' ASP . 52.8 t -95.05 -14.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 11.5 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.37 66.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.55 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.741 ' CE3' ' CD2' ' A' ' 37' ' ' LEU . 9.3 m0 -64.26 132.26 49.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -109.17 -164.12 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' GLN . 2.1 tttp -43.71 -58.99 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -42.75 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.642 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -50.33 -38.38 41.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.38 -29.21 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.582 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -63.92 -31.13 72.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 14.2 tttt -66.44 -47.53 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.489 HG22 ' CG ' ' A' ' 37' ' ' LEU . 1.8 t -56.71 -46.7 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.599 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -53.1 -35.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.85 -24.27 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.539 ' CD1' ' CE1' ' A' ' 36' ' ' HIS . 1.7 mt -80.91 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.509 ' CG2' ' CD1' ' A' ' 33' ' ' ILE . 42.0 t -52.15 -23.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.86 -23.36 67.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.666 ' CD2' HD21 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.6 -59.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 37.5 102.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 173.76 -65.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.78 . . . . 0.0 110.409 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 27' ' ' THR . 8.2 mttt 166.73 41.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -104.39 83.16 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CZ2' ' HB3' ' A' ' 46' ' ' ARG . 25.7 m95 -94.58 -2.79 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.01 -44.55 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.666 HD21 ' CD2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -49.96 -50.18 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.573 HD12 ' CE3' ' A' ' 30' ' ' TRP . 4.9 mp -53.58 -61.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . -61.65 -17.08 53.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.7 ttmm -101.74 0.56 36.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.595 ' N ' ' O ' ' A' ' 32' ' ' LEU . 5.6 m-70 -113.82 -48.64 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.741 ' CD2' ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -99.98 95.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -170.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.5 18.92 16.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -159.81 146.08 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 mm? -71.58 -179.86 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 34' ' ' ALA . . . -126.48 -1.12 7.22 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -70.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.31 52.67 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -90.2 -9.71 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.604 ' HB3' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -113.87 -164.15 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 tt0 83.79 52.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.603 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -161.03 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.599 ' CZ3' HG13 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -90.37 -12.81 36.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.014 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -42.4 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -109.09 62.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -123.9 -71.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.57 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.55 118.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -137.77 133.07 17.58 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.08 -171.04 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 68.7 t -75.74 -2.53 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.3 OUTLIER 84.39 168.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -85.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 61' ' ' SER . 14.3 p -47.64 155.46 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.3 m 82.26 -158.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 72.1 m95 -63.55 176.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.48 -166.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.4 mm-40 -74.52 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -44.9 -37.52 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -61.17 -35.0 75.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.6 t70 -70.12 -54.59 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -56.58 17.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 73.9 mt -41.77 -71.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.502 ' CD1' HG12 ' A' ' 96' ' ' VAL . 32.9 mt -45.76 -51.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -54.78 -15.16 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -106.73 -50.52 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.402 ' CB ' HD11 ' A' ' 84' ' ' ILE . . . -49.04 -39.37 27.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.851 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 8.1 t-80 -62.22 -14.53 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -106.58 25.83 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 72' ' ' GLU . 2.2 t -137.18 -43.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.483 ' CD2' ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -99.64 -74.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 126.62 98.46 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.514 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 43.8 22.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.494 ' CD ' ' HB3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -78.53 50.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.851 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.0 m95 -48.38 -37.76 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -22.67 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.494 ' HB3' ' CD ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -106.96 -39.52 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.554 ' CG2' HG13 ' A' ' 96' ' ' VAL . 5.3 mm -47.18 -49.67 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -62.99 -40.5 97.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.43 60.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 85' ' ' ALA . 11.2 mt -152.32 -41.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.0 163.19 24.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -147.08 -150.24 5.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.447 ' HD2' ' CZ3' ' A' ' 62' ' ' TRP . 67.4 mmt-85 54.4 166.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -144.47 176.94 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.398 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -61.19 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -32.15 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.14 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.554 HG13 ' CG2' ' A' ' 84' ' ' ILE . 61.6 t -54.84 -61.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 11.2 ttpp -36.91 -61.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.404 ' O ' ' OG ' ' A' ' 102' ' ' SER . 4.6 t-20 -60.19 -54.96 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.602 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 22.8 t60 -44.12 -28.1 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.681 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 16.5 t-105 -61.33 -67.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.494 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.9 m-80 -72.46 -3.77 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.565 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 51.5 m -72.86 -80.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -114.11 -14.12 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.681 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.2 mm -88.36 29.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 1.6 mmtt -152.77 108.26 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.8 OUTLIER -73.78 -65.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -66.32 72.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -154.82 -53.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -153.24 77.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.486 HG21 ' CG1' ' A' ' 6' ' ' VAL . 9.5 mm -143.51 74.28 17.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.0 -160.57 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.77 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.61 168.55 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.79 13.06 6.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.578 ' C ' ' H ' ' A' ' 8' ' ' GLY . 41.3 t -100.33 -29.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.71 24.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.12 73.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.12 5.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.574 1.829 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.689 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m95 -77.68 174.87 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 25.6 p -152.17 -162.91 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.9 tttt -63.74 -51.08 66.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.54 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -41.34 -38.55 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' OE2' ' CZ3' ' A' ' 10' ' ' TRP . 0.8 OUTLIER -73.17 -51.15 18.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' OD2' ' NZ ' ' A' ' 43' ' ' LYS . 19.9 m-20 -59.89 -59.45 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.54 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -41.9 -37.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.9 tttm -54.11 -49.0 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG12 ' CG2' ' A' ' 33' ' ' ILE . 2.4 t -55.32 -47.92 77.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.554 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -60.39 -35.93 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -80.35 -20.99 42.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.59 HD23 ' CE1' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -78.27 -45.31 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.605 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 22.4 t -68.17 -27.95 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -71.38 -36.18 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -84.32 -27.14 27.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.655 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.5 m-30 -84.48 -57.2 3.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.531 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.74 97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.562 1.164 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -178.06 -61.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.371 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER 173.01 40.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.653 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -109.48 94.82 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 29.6 m95 -106.96 -4.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -77.93 -41.7 35.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.706 ' CD1' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -53.15 -49.5 66.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.559 ' CG2' HG12 ' A' ' 18' ' ' VAL . 4.3 mp -42.13 -46.2 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.67 -23.96 27.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.52 -41.57 46.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.706 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 36.1 m-70 -85.0 10.82 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.689 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 90.0 mt -156.01 103.83 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.28 -158.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.06 -53.47 2.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -179.88 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.42 160.6 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -41.75 154.03 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' NZ ' ' OD2' ' A' ' 15' ' ' ASP . 9.0 tptm -65.15 80.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' CYS . 23.8 mt-30 56.91 67.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLN . 3.5 t -39.95 110.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 23.7 mtm180 73.23 101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 0.6 OUTLIER 175.32 138.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER 85.03 -9.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.605 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -143.34 -81.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.99 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TRP . 27.4 t-80 -37.93 -45.53 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.679 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.493 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -113.88 -145.19 0.39 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' O ' ' C ' ' A' ' 53' ' ' LEU . 2.0 t-80 71.28 -49.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' C ' ' O ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -31.04 95.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 52' ' ' HIS . 5.7 p30 -61.99 152.66 76.5 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -157.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.13 -168.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.0 -29.52 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.66 66.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' SER . 4.8 tptt 40.45 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.0 p -45.36 94.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 175.36 -152.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.609 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 50.0 m95 -62.66 172.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -132.62 -157.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.1 mt-10 -79.72 -79.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -44.42 -35.04 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.9 mt-10 -65.78 -40.31 91.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.7 t70 -60.52 -52.65 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mmp_? -55.19 -61.52 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.472 HG23 ' CD1' ' A' ' 88' ' ' LEU . 75.7 mt -39.03 -46.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -59.04 -68.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -46.41 -25.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 6.5 mt-10 -77.69 -70.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.456 ' CB ' HD11 ' A' ' 84' ' ' ILE . . . -49.22 -22.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.76 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.3 t-80 -72.37 -42.33 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -84.51 6.79 22.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 3.4 t -112.68 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 80' ' ' ARG . 0.4 OUTLIER -130.64 -50.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.622 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 127.73 -68.35 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -148.89 20.27 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.459 ' HB2' ' CB ' ' A' ' 77' ' ' LEU . 3.4 mpt_? -70.19 59.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.76 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.6 m95 -52.03 -36.96 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.24 42.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 80' ' ' ARG . 27.0 mm-40 -105.74 -34.4 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.518 ' CG2' HG13 ' A' ' 96' ' ' VAL . 10.1 mm -50.48 -48.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -62.59 -43.6 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -49.25 -25.71 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.409 HD11 ' CB ' ' A' ' 73' ' ' ALA . 1.4 mt -86.61 -33.27 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.472 ' CD1' HG23 ' A' ' 69' ' ' ILE . 3.4 mp -106.27 105.87 55.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.91 2.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.791 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.45 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.602 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER 171.63 -175.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.416 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 40.5 p -134.02 -140.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.46 -29.97 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.527 ' CB ' ' CG ' ' A' ' 91' ' ' ARG . . . -71.08 -67.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.518 HG13 ' CG2' ' A' ' 84' ' ' ILE . 85.4 t -54.28 -60.26 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.587 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.5 ttpp -37.25 -58.64 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' TRP . 11.0 t-20 -58.51 -53.25 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.609 ' CG ' ' NE1' ' A' ' 62' ' ' TRP . 5.9 t60 -45.05 -25.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.604 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.1 t-105 -64.47 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.444 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 69.1 m-80 -70.98 -2.72 16.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.9 m -73.07 -81.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -121.64 -13.22 8.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.604 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.8 mt -90.84 32.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 1.8 mmmm -148.43 100.99 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.437 ' NE ' ' HB2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -62.12 -59.43 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' HB2' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -68.23 68.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 106' ' ' ARG . 1.0 OUTLIER -157.2 -51.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -87.29 47.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.969 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.646 ' HB ' ' HD2' ' A' ' 3' ' ' PRO . 0.6 OUTLIER -105.04 -179.42 0.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.349 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.646 ' HD2' ' HB ' ' A' ' 2' ' ' ILE . 18.3 Cg_endo -74.99 20.35 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.473 ' H ' ' C ' ' A' ' 2' ' ' ILE . 5.6 t0 -124.97 -152.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' CD1' ' CD1' ' A' ' 2' ' ' ILE . 0.3 OUTLIER 70.31 4.35 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' GLY . 1.1 t -132.97 -153.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.45 27.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 105.09 72.22 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HB3' ' C ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -75.0 -157.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.579 ' CZ2' ' HB2' ' A' ' 37' ' ' LEU . 11.5 m0 -78.61 -74.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.526 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 1.1 p 69.38 -153.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.1 ttpm? -73.94 -34.32 64.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.78 -62.34 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' CG ' ' CD1' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -50.23 -40.23 46.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.435 ' O ' HD11 ' A' ' 19' ' ' ILE . 5.0 m-20 -65.25 -23.15 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -83.77 -26.18 29.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 6.6 tttt -85.95 -45.78 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.491 ' CG1' HG13 ' A' ' 33' ' ' ILE . 2.3 t -64.25 -28.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.623 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -71.65 -54.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -34.78 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.576 HD12 ' CE1' ' A' ' 36' ' ' HIS . 51.4 mt -65.13 -58.06 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.492 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 78.4 t -61.19 -16.74 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -24.32 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -22.76 15.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.72 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.3 m-85 -89.77 -53.51 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.53 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 147.12 -106.03 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -175.53 55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 110.366 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -151.56 -44.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -74.08 83.21 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 35.9 m95 -72.31 -6.42 43.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.522 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -65.42 -43.65 89.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.72 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -51.83 -18.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.491 HG13 ' CG1' ' A' ' 18' ' ' VAL . 4.1 mp -87.15 -48.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.53 30.01 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 31' ' ' THR . 10.4 tttp -123.21 -37.8 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.707 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 3.8 m170 -82.66 -11.98 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.607 ' CD1' ' CG ' ' A' ' 14' ' ' GLU . 1.7 mm? -116.22 -177.81 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.54 ' CD ' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -151.37 32.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.02 62.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.489 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 76.23 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.68 93.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 10' ' ' TRP . . . -31.68 105.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -40.32 104.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.67 91.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 15.4 p -98.01 125.02 42.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 46' ' ' ARG . 27.5 mtm105 55.87 93.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.53 -41.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -86.03 -27.09 25.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.623 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -105.33 -54.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.78 -45.7 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' HIS . 1.2 m-80 -112.31 -149.55 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER 81.65 -50.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.576 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 pp -47.33 99.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -141.5 84.8 12.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.04 -90.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 55' ' ' PRO . 17.3 tt0 59.24 149.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.7 -75.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 60' ' ' SER . 17.0 ttmt -166.73 87.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.65 -90.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 58' ' ' LYS . 91.8 p -101.69 -98.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' SER . 9.3 p 35.16 -149.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.613 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 95.0 m95 -62.75 -178.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.22 -167.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.1 mm-40 -77.64 -77.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.94 -33.59 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.491 ' HG2' ' CD2' ' A' ' 88' ' ' LEU . 3.5 mt-10 -64.15 -36.33 83.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -71.29 -51.73 22.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 49.7 mtp180 -60.26 -62.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 73' ' ' ALA . 45.5 mt -39.26 -71.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.44 HD11 ' CG1' ' A' ' 96' ' ' VAL . 45.7 mt -48.01 -48.31 12.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 49.6 t80 -59.96 -13.83 13.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 16.4 pt-20 -132.82 22.53 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -119.15 -14.33 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.764 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.6 t-80 -81.82 -33.52 30.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 11.02 17.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.6 t -112.83 -25.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CB ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -132.21 -75.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.732 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 161.37 -141.43 7.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.465 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -91.56 20.22 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.477 ' HD2' ' CB ' ' A' ' 77' ' ' LEU . 3.8 ptp180 -72.36 48.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.764 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.0 m95 -40.22 -34.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 80' ' ' ARG . . . -46.15 -24.12 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' LYS . 21.9 mm-40 -116.61 -45.22 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.542 ' CG2' ' CG1' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -43.66 -27.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -86.23 -44.38 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' GLU . 15.5 mttt -63.9 72.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.0 mt -153.65 -43.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.491 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -120.58 149.74 50.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 98.94 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.42 141.94 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.0 mmt180 67.0 135.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -102.95 -152.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -72.99 -48.59 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -14.53 37.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -83.7 -68.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.564 HG21 ' CH2' ' A' ' 62' ' ' TRP . 98.2 t -54.48 -49.03 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.627 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -38.63 -61.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 102' ' ' SER . 3.9 t-20 -62.92 -39.13 93.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.613 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 1.9 t60 -49.6 -21.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.566 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -70.32 -51.29 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.033 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.416 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 61.5 m-80 -88.5 -4.86 58.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 98' ' ' ASN . 3.6 t -73.4 -73.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.6 m -135.59 -7.85 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.566 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 1.1 mm -99.22 35.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -118.9 42.75 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -73.69 -64.95 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.05 93.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.8 t -157.15 -52.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -153.76 78.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.956 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 64.68 153.2 0.12 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD2' HG23 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.95 -168.12 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.415 1.745 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.589 ' O ' ' O ' ' A' ' 5' ' ' LEU . 11.9 t0 -70.08 112.52 6.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.589 ' O ' ' O ' ' A' ' 4' ' ' ASP . 1.2 mp 41.78 103.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.536 HG11 ' N ' ' A' ' 7' ' ' LYS . 92.5 t -69.98 -103.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.536 ' N ' HG11 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -82.44 35.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.701 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.17 47.68 8.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.701 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.96 111.73 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.557 ' NE1' ' CD2' ' A' ' 5' ' ' LEU . 10.8 m0 -116.94 -62.86 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.541 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 1.2 p 71.33 177.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -63.59 -16.08 59.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.543 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.9 tt0 -67.84 -52.31 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.458 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -53.05 -46.02 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.931 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -64.6 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.543 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 6.0 pt20 -38.15 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' ASP . 24.3 mttt -68.69 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.5 HG22 ' CD1' ' A' ' 37' ' ' LEU . 26.2 t -42.08 -36.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.547 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -62.68 -80.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.33 -45.0 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 36' ' ' HIS . 13.9 mt -54.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.539 ' CG1' ' NE1' ' A' ' 49' ' ' TRP . 4.4 t -48.68 -21.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -74.0 -38.38 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -101.27 -2.07 32.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.69 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 4.2 m-85 -109.9 -54.06 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 109.37 -91.85 0.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.544 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.21 37.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 -10.51 12.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -127.53 62.27 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.647 ' CH2' ' HA ' ' A' ' 46' ' ' ARG . 79.7 m95 -57.57 -18.74 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.26 -39.29 66.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.943 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.69 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -54.1 -49.77 68.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.485 ' HA ' ' CG2' ' A' ' 18' ' ' VAL . 4.1 mp -58.59 -43.4 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.76 7.8 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' THR . 4.0 tttp -113.04 -42.11 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.572 ' CE1' HD12 ' A' ' 21' ' ' LEU . 7.8 m170 -83.31 -26.81 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.5 ' CD1' HG22 ' A' ' 18' ' ' VAL . 10.5 mt -105.4 61.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' C ' ' CD1' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -55.91 -162.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 100.88 13.3 34.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.586 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 tmm_? 88.28 126.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 35.18 99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -30.38 92.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . 4.9 tmtt? -39.3 107.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 70.1 mt-30 71.62 82.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 120.23 39.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.647 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 5.8 mtt-85 69.73 81.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.1 -75.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -20.07 58.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.539 ' NE1' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.45 20.45 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 46' ' ' ARG . 22.7 t-80 -134.56 -123.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.691 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -33.77 -66.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ASN . 24.6 t60 -37.6 -51.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' HIS . 0.2 OUTLIER -84.06 79.57 9.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -138.22 96.64 9.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.98 -8.76 20.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 57' ' ' VAL . 29.5 tt0 56.48 160.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 2.5 t -78.67 -74.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 2.5 tttt 84.64 -164.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -43.74 92.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.6 p -84.18 -149.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m 48.08 -145.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 47.7 m95 -61.98 173.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -129.89 -162.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.9 mm-40 -75.12 -77.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -44.01 -41.57 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.1 mt-10 -60.81 -38.1 84.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -58.65 -52.04 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' ILE . 7.2 mtp180 -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' ARG . 73.9 mt -36.23 -53.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -52.65 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -48.58 -24.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -78.14 -71.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.462 ' CB ' HD11 ' A' ' 84' ' ' ILE . . . -44.42 -25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 20.8 t-80 -64.48 -52.48 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 1.45 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 4.9 t -104.32 -16.44 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.609 ' HB2' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -133.04 -71.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.26 100.91 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.598 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 39.16 28.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.609 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mpt_? -78.72 52.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.4 m95 -51.73 -38.11 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -17.69 36.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.3 mm-40 -109.56 -37.82 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.524 ' CG2' HG13 ' A' ' 96' ' ' VAL . 4.0 mm -50.23 -46.42 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -68.71 -52.55 29.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -45.18 -26.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.8 -45.34 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -94.76 117.76 66.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.797 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.37 57.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.726 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER 172.15 151.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 p -112.07 -172.12 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -76.71 -41.17 46.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -61.79 -20.36 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.483 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -79.76 -65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.524 HG13 ' CG2' ' A' ' 84' ' ' ILE . 99.1 t -54.68 -60.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.2 ttpp -39.79 -53.71 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 15.6 t-20 -61.52 -48.51 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.749 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 2.7 t60 -52.68 -27.0 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.611 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 5.1 t-105 -65.44 -50.17 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.463 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 62.7 m-80 -87.55 2.11 51.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.534 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 41.0 t -75.48 -80.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -126.92 -8.19 6.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.611 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 9.9 mt -100.48 40.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.479 ' H ' ' CD ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -125.39 39.67 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -95.3 -60.81 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 88.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.39 -49.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' O ' ' CG2' ' A' ' 110' ' ' THR . 12.4 t0 -154.17 71.12 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 109' ' ' ASP . 8.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.479 ' CD1' ' CG2' ' A' ' 6' ' ' VAL . 1.9 pp -146.26 109.25 4.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.436 0.727 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.02 8.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -112.39 145.73 39.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 75.24 11.21 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.479 ' CG2' ' CD1' ' A' ' 2' ' ' ILE . 4.5 t -117.99 -133.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 20.2 mmmt 38.21 31.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.65 79.06 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.84 27.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.685 ' CZ3' ' CD2' ' A' ' 37' ' ' LEU . 11.6 m95 -91.06 130.76 36.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.527 ' CA ' ' OE1' ' A' ' 14' ' ' GLU . 74.1 p -127.07 -158.35 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -38.99 -61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -43.9 -33.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.674 ' HG2' ' N ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.674 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -66.02 -34.34 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -59.21 -28.25 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.541 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 tttt -73.51 -46.59 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.494 ' CG1' HG13 ' A' ' 33' ' ' ILE . 2.3 t -55.1 -26.23 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.61 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -73.16 -56.48 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.02 -22.23 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.516 ' CD1' ' ND1' ' A' ' 36' ' ' HIS . 25.5 mt -67.75 -56.69 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.569 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 24.9 t -61.86 -20.48 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.87 -34.08 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.76 -25.68 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.702 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.2 m-85 -88.14 -52.98 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.523 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 144.15 -100.6 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -176.0 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.396 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 21.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 59.8 mt-30 -124.63 56.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.62 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 26.7 m95 -51.52 -22.44 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.601 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -62.89 -42.68 99.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -52.11 -19.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 42' ' ' GLY . 4.3 mp -90.69 -50.33 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' CA ' ' HA3' ' A' ' 42' ' ' GLY . . . -88.46 16.22 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -116.91 -38.25 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.684 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 6.3 m170 -84.59 -41.93 15.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.685 ' CD2' ' CZ3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -91.73 64.81 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -67.37 89.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 159.31 42.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.04 -172.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.04 -2.12 42.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.531 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . 46.08 26.36 2.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -98.99 -141.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 43' ' ' LYS . 51.5 tt0 33.25 91.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' GLU . 88.3 m -150.53 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 108.275 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.62 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 69.2 mtp85 -57.13 80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' CYS . 24.7 tt0 -155.91 -43.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -34.65 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.61 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -112.89 -11.23 13.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -76.89 -113.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.615 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.65 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -73.98 58.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.44 ' ND1' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -117.41 -36.65 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.58 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 52' ' ' HIS . 1.4 tt -39.16 129.05 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -120.27 114.58 33.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.439 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.05 -85.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 44.3 tt0 54.87 162.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.466 ' N ' ' HG2' ' A' ' 56' ' ' GLU . 1.7 t -90.25 25.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt 75.02 136.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 60' ' ' SER . 2.6 mttt -67.62 151.61 47.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.2 p 84.48 -56.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -66.59 -158.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.715 ' CE2' ' CD2' ' A' ' 99' ' ' HIS . 56.3 m95 -63.08 175.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.6 p -138.43 -157.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.9 mm-40 -81.03 -79.94 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.56 -31.15 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 11.7 mt-10 -67.74 -38.11 83.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.6 t0 -63.92 -51.35 64.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.7 mtp180 -56.19 -61.46 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' ARG . 69.7 mt -36.99 -43.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 84' ' ' ILE . 1.1 mm -61.66 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.5 t80 -47.71 -22.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -80.73 -70.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -47.41 -24.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.789 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 21.2 t-80 -70.22 -43.17 71.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.3 pttt -85.55 8.32 19.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 5.1 t -111.91 -20.6 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.622 ' HB2' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -130.4 -74.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 134.76 104.85 0.82 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.581 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.1 OUTLIER 39.42 28.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.622 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mpt_? -78.22 53.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.789 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -52.01 -37.44 53.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.985 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.09 36.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.0 mm-40 -112.74 -27.19 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CG2' HG13 ' A' ' 96' ' ' VAL . 3.4 mm -62.98 -45.7 98.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -71.86 -37.43 70.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 24.1 mmtt -39.18 -31.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -78.56 -51.6 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 87' ' ' LEU . 1.6 mm? -101.93 112.2 65.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.56 10.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.95 7.1 13.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.596 ' CG ' ' CH2' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -116.44 -11.03 11.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 37.1 p 45.19 -91.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -159.64 -44.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' ASN . 1.1 p30 -59.03 -26.75 64.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.08 -64.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.537 HG13 ' CG2' ' A' ' 84' ' ' ILE . 61.8 t -61.51 -59.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.7 ttpp -40.21 -60.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 19.0 t-20 -59.28 -57.2 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.715 ' CD2' ' CE2' ' A' ' 62' ' ' TRP . 7.7 t60 -44.42 -27.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.618 ' CZ3' HG23 ' A' ' 104' ' ' ILE . 6.1 t-105 -63.03 -69.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.452 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.6 m-80 -69.81 -3.11 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.502 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.0 m -72.23 -81.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -118.73 -13.6 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.618 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 3.7 mt -91.96 35.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 10.9 mmtt -152.99 78.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.421 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -64.81 -67.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.427 ' HG2' ' CG2' ' A' ' 110' ' ' THR . 0.4 OUTLIER -67.81 92.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 106' ' ' ARG . 0.5 OUTLIER -107.49 -55.92 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -153.52 75.03 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.427 ' CG2' ' HG2' ' A' ' 107' ' ' LYS . 23.7 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.69 ' CD1' ' HB3' ' A' ' 4' ' ' ASP . 1.6 pp -72.18 157.23 89.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.47 ' CA ' ' HE2' ' A' ' 7' ' ' LYS . 18.3 Cg_endo -75.01 35.45 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.69 ' HB3' ' CD1' ' A' ' 2' ' ' ILE . 4.9 t0 -143.63 -174.33 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.63 ' CD1' ' CD1' ' A' ' 2' ' ' ILE . 0.3 OUTLIER 73.3 1.53 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.481 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -139.05 -63.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.47 ' HE2' ' CA ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -75.59 2.43 11.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 172.92 61.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.04 157.67 42.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 14' ' ' GLU . 9.9 m0 -55.73 170.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 11.6 p -151.51 -165.02 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLN . 38.6 ttpt -52.9 -34.26 54.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.586 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -47.59 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 23.8 mp0 -52.04 -38.87 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 68.0 m-20 -64.81 -26.04 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.593 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 1.3 pp0? -64.84 -34.01 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.593 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.4 tttt -69.28 -40.85 77.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.546 HG12 ' CG1' ' A' ' 33' ' ' ILE . 2.3 t -56.93 -35.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.622 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 2.8 mm -67.78 -38.67 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -21.51 64.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 36' ' ' HIS . 3.9 mt -81.76 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.501 ' HB ' ' CH2' ' A' ' 49' ' ' TRP . 96.3 t -50.01 -22.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.5 mttp -71.8 -61.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.29 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.695 ' CD2' HD22 ' A' ' 32' ' ' LEU . 3.5 m-30 -85.17 -61.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.06 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.522 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 179.88 -66.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.414 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER 174.41 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -114.28 98.7 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.505 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 53.2 m95 -111.32 -11.04 14.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -68.5 -38.45 80.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.695 HD22 ' CD2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -54.44 -54.81 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.546 ' CG1' HG12 ' A' ' 18' ' ' VAL . 4.8 mp -40.91 -74.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.9 -59.01 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -46.85 -27.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.639 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.8 m-70 -84.52 -67.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD21 ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -88.85 96.68 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.94 36.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.23 -8.07 45.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.22 158.81 19.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.58 149.9 45.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.37 50.54 4.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -95.59 -58.61 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.58 59.05 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.457 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 42.9 m -113.55 -172.32 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 35.02 61.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 1.3 mt-10 -154.7 120.23 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 52' ' ' HIS . 0.1 OUTLIER 80.34 -3.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.622 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 3.6 t90 -132.77 -47.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.743 ' HD1' ' N ' ' A' ' 51' ' ' ASN . 7.8 t-80 -72.86 -90.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.756 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -59.49 84.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 48' ' ' ARG . 23.7 m-70 -173.35 -66.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.644 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.55 35.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.549 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -76.88 -49.95 2.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 54' ' ' ASN . 18.1 Cg_endo -75.03 -90.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.428 1.752 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 55' ' ' PRO . 19.6 tt0 58.61 153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.524 ' CG1' ' N ' ' A' ' 58' ' ' LYS . 29.1 t -83.82 -98.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -152.17 -170.19 3.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -63.96 88.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.17 -170.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.23 24.45 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 109.976 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 94.6 m95 -91.97 -179.82 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.14 -165.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -80.69 -79.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.16 -27.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.407 ' O ' HG13 ' A' ' 70' ' ' ILE . 1.9 mm-40 -66.79 -39.87 87.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -69.46 -46.75 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mtp180 -58.9 -62.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' ARG . 95.8 mt -38.81 -71.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.486 HD12 ' CG2' ' A' ' 96' ' ' VAL . 15.0 mt -48.55 -49.78 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 54.2 t80 -58.73 -15.17 10.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -106.06 -13.12 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -92.17 -22.11 20.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.737 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.9 t-80 -74.57 -14.81 60.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -101.86 12.06 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.4 t -115.1 -34.37 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.02 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.737 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.4 -121.15 1.09 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 22.07 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 54.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.673 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -48.94 -35.48 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.18 48.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LYS . 7.6 mm-40 -104.16 -41.91 5.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' HG12 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -46.98 -42.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -70.99 -31.08 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' GLU . 19.9 mttt -66.45 67.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 4.3 mt -153.77 -44.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.4 OUTLIER -114.6 127.77 26.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 102.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.459 ' O ' ' NE ' ' A' ' 91' ' ' ARG . . . 136.24 55.95 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.734 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 4.9 tpp180 174.15 168.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -133.82 -167.78 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -28.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.508 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.23 -67.41 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.502 HG12 ' CG2' ' A' ' 84' ' ' ILE . 67.2 t -57.44 -54.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.6 ttpp -37.66 -64.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.4 -49.88 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 104' ' ' ILE . 4.8 t60 -46.91 -25.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.617 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 1.8 t-105 -64.55 -69.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.472 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.5 m-80 -67.26 -4.51 10.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.46 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.7 m -72.06 -80.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.07 -13.96 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.617 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.3 mt -90.76 31.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 5.9 mmmt -148.58 111.62 4.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -68.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 1.4 tttt -69.78 77.5 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.22 -46.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -152.88 73.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.997 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.507 ' C ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.848 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -136.67 39.72 0.45 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.848 ' HD3' ' N ' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.0 7.9 2.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.547 ' C ' ' HG ' ' A' ' 5' ' ' LEU . 3.5 t70 -124.3 21.77 8.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.608 ' HB2' ' CD1' ' A' ' 2' ' ' ILE . 0.4 OUTLIER -154.39 21.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.503 ' CG2' HG22 ' A' ' 2' ' ' ILE . 77.6 t -114.93 -24.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -75.96 10.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 176.37 71.67 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 163.96 34.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.578 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 11.0 m0 -110.84 -31.54 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.548 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 1.0 OUTLIER 69.23 -161.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.7 tttm -81.83 -28.05 33.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -45.68 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 10' ' ' TRP . 7.8 mm-40 -49.65 -39.6 36.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 19.3 m-20 -62.35 -31.05 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -62.86 -31.2 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.563 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 12.0 tttm -65.34 -49.51 69.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.524 HG12 ' CG1' ' A' ' 33' ' ' ILE . 1.5 t -50.17 -38.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.503 ' HA ' ' HH2' ' A' ' 49' ' ' TRP . 3.6 mm -58.24 -47.83 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.22 -43.99 72.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.508 HD23 ' CE1' ' A' ' 36' ' ' HIS . 2.9 mt -54.26 -46.08 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.53 HG12 ' CZ2' ' A' ' 49' ' ' TRP . 80.7 t -51.65 -60.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -14.98 9.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -86.27 -45.25 11.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.733 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.5 m-30 -84.63 -51.57 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.564 ' O ' ' CG2' ' A' ' 27' ' ' THR . . . 154.45 -126.55 1.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.564 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 1.1 p -164.66 62.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.37 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -120.08 -62.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.5 m95 67.39 9.9 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.035 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.587 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -95.57 -52.48 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.45 -17.7 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' CG1' HG12 ' A' ' 18' ' ' VAL . 5.2 mp -91.3 -57.37 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.72 9.3 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.1 ttpp -116.94 -36.0 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 10.8 m170 -84.84 -39.18 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 1.6 mt -110.31 107.37 17.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -152.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.0 -49.52 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.543 ' NH1' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.65 -174.51 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.03 -179.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' LEU . . . -45.27 171.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.2 tptp -97.03 47.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' LYS . 16.8 tt0 34.91 35.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.1 m -41.44 -39.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.564 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 1.0 OUTLIER -44.51 -62.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' CB ' ' HG2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -62.72 73.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 8.5 tpp85 -177.69 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.53 ' CZ2' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.25 -20.49 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 107.991 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.564 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 11.9 m-70 -90.56 -26.76 19.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.688 ' N ' HD21 ' A' ' 51' ' ' ASN . 0.9 OUTLIER -108.68 15.18 23.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -77.41 -56.82 4.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.635 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' CB ' ' O ' ' A' ' 52' ' ' HIS . 0.5 OUTLIER 83.84 82.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -141.73 67.21 23.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -76.33 -167.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 9.8 t -66.87 -17.38 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 mmtp 162.2 42.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 37.91 -92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -81.99 68.2 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 60' ' ' SER . 6.0 m -169.16 -155.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 65.1 m95 -62.4 174.84 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.56 -166.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.2 mm-40 -72.58 -79.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -37.08 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.15 -37.13 84.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.1 t70 -69.0 -52.63 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -55.61 -59.38 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.2 mt -39.93 -72.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.414 HD12 ' CG1' ' A' ' 96' ' ' VAL . 30.7 mt -45.04 -55.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -48.48 -20.67 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -97.92 -46.31 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' HA ' ' CG2' ' A' ' 76' ' ' VAL . . . -55.03 -21.33 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.783 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.0 t-80 -77.52 -14.13 59.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CE ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -100.76 9.71 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -110.86 -30.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.09 -71.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.783 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 150.37 -118.19 0.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.96 21.12 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.3 52.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.692 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 10.8 m95 -48.73 -37.31 18.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.37 -28.14 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.8 mm-40 -107.83 -43.91 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.512 HG22 ' CG1' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -44.98 -43.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -69.84 -37.13 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.6 mttm -65.38 70.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.7 mt -153.77 -43.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.76 133.19 24.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 127.39 10.62 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.43 -52.01 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.9 mmt180 -93.66 166.28 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.1 p -129.52 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -69.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.23 -29.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.89 -62.32 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.512 ' CG1' HG22 ' A' ' 84' ' ' ILE . 61.3 t -59.89 -54.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.619 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -35.92 -65.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -57.24 -53.84 53.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.68 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 12.7 t60 -44.54 -28.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.561 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.683 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 13.1 t-105 -60.58 -68.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.479 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.4 m-80 -71.19 -4.71 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.571 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.0 t -70.8 -78.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.18 -14.09 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.683 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 1.4 mm -88.35 31.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 2.9 mmtt -150.94 73.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.429 ' H ' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -74.51 -36.59 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 1.9 tttt -85.07 67.93 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -146.08 -47.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.429 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 8.1 t0 -153.09 78.85 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.989 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.454 HD13 ' C ' ' A' ' 5' ' ' LEU . 5.2 pt -114.28 131.01 23.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -3.48 13.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -137.19 144.92 43.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 1.3 mp 49.96 -168.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.584 ' CG1' ' N ' ' A' ' 7' ' ' LYS . 2.1 t -168.39 169.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.584 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -69.4 42.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 141.72 71.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.2 Cg_endo -75.02 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.587 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 11.3 m0 -56.92 175.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 9.5 p -152.31 -166.91 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.8 ttpp -47.16 -30.08 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -54.14 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.557 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 49.4 mm-40 -49.06 -38.01 22.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -65.06 -32.15 73.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.47 -27.34 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.49 -54.56 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.539 HG12 ' CG2' ' A' ' 33' ' ' ILE . 2.3 t -46.77 -42.66 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.553 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -63.11 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.39 -16.55 61.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.537 HD12 ' CE1' ' A' ' 36' ' ' HIS . 3.7 mt -84.6 -61.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.44 HG13 ' CG ' ' A' ' 49' ' ' TRP . 6.5 t -56.26 -20.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -59.6 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -20.96 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.672 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 4.0 m-30 -85.81 -60.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 31.14 92.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.439 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -175.17 -61.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' NZ ' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER 173.42 57.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.91 99.14 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.616 ' CH2' ' HA ' ' A' ' 46' ' ' ARG . 35.2 m95 -116.16 -6.96 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -39.92 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.672 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -54.66 -53.38 55.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.539 ' CG2' HG12 ' A' ' 18' ' ' VAL . 4.8 mp -38.62 -70.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.61 -60.04 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -29.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.64 ' N ' ' O ' ' A' ' 32' ' ' LEU . 9.9 m-70 -84.92 -62.68 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.606 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.587 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -96.99 92.22 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.538 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.14 36.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.24 -15.11 8.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -137.88 55.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 33.39 -101.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.01 41.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -54.35 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.45 54.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 47' ' ' GLU . 4.3 t -143.04 -42.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.616 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 mtm105 -64.32 65.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 45' ' ' CYS . 19.9 tt0 -145.19 15.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.01 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.554 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -92.45 -16.05 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.584 ' CD2' ' NE1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -97.11 -35.43 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.566 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.513 ' N ' HD21 ' A' ' 51' ' ' ASN . 1.5 m-80 -109.14 74.82 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 -69.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.642 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -40.35 104.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -128.31 108.03 19.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.96 -90.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 55' ' ' PRO . 72.6 tt0 53.12 168.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.409 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 12.0 t -64.68 -49.05 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 60' ' ' SER . 11.9 ptmt 171.84 90.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.91 -89.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.9 m -108.67 -97.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 60' ' ' SER . 3.5 m 34.39 -149.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.635 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 61.7 m95 -63.05 175.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.414 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 14.9 p -132.1 -164.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASP . 12.6 mm-40 -74.1 -79.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -41.58 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 33.6 mt-10 -59.79 -36.33 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t70 -60.38 -53.86 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' ILE . 3.4 mtp180 -61.14 -57.25 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 90.6 mt -36.02 -39.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -66.56 -70.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -48.53 -20.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.439 ' O ' HG21 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -83.2 -65.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . . . -54.4 -20.96 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.724 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 19.6 t-80 -76.5 -14.31 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.646 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.84 13.43 32.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 72' ' ' GLU . 1.2 t -117.82 -37.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.433 ' CD2' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -119.96 -69.36 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.724 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 145.93 -113.24 0.67 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.05 20.27 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.481 ' CD ' ' HB2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.58 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.1 m95 -51.84 -37.03 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.41 -25.31 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.481 ' HB2' ' CD ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -99.39 -40.44 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.568 ' CG2' HG13 ' A' ' 96' ' ' VAL . 3.6 mm -47.89 -44.03 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -69.59 -37.1 76.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -56.65 -35.89 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 73' ' ' ALA . 5.9 mt -74.86 -16.7 60.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 10.7 mt -95.22 165.38 16.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.01 7.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.41 98.49 0.61 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.569 ' HD2' ' CH2' ' A' ' 62' ' ' TRP . 9.6 mmt-85 -146.69 17.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 2.0 p 45.73 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.07 -57.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -30.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 91' ' ' ARG . . . -68.1 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.568 HG13 ' CG2' ' A' ' 84' ' ' ILE . 92.8 t -53.99 -57.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.641 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -39.36 -43.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.1 t-20 -74.95 -47.97 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.635 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.7 t60 -46.61 -22.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.632 ' CZ2' ' ND1' ' A' ' 74' ' ' HIS . 1.3 t-105 -69.52 -53.57 18.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 68.4 m-80 -88.13 -6.27 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 98' ' ' ASN . 1.3 t -72.24 -73.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -136.55 -8.06 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.568 HG23 ' CZ3' ' A' ' 100' ' ' TRP . 0.9 OUTLIER -98.02 33.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -117.17 41.09 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -65.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -66.78 93.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -156.82 -48.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.71 31.1 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.953 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' C ' ' CG1' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.441 ' CG2' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -160.09 174.12 4.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.367 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.48 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.4 Cg_endo -75.02 -163.57 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -68.24 -179.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 74.34 13.01 3.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 5.1 t -110.15 -133.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' H ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 29.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 123.16 79.36 0.46 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.04 21.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.654 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.2 m0 -90.43 158.74 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' GLU . 28.4 p -147.24 -165.39 2.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttt -39.83 -53.96 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -45.04 -40.35 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.654 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -57.41 -47.5 81.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.488 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -62.07 -49.36 76.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.524 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -48.01 -24.31 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.524 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.2 tttp -72.41 -53.82 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG22 ' CD2' ' A' ' 37' ' ' LEU . 2.3 t -45.96 -30.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.81 -47.97 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.81 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 36' ' ' HIS . 1.4 mt -89.29 -30.8 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.431 HG11 ' CG2' ' A' ' 27' ' ' THR . 39.0 t -70.1 -34.94 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.07 -38.31 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -70.11 -23.05 62.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.656 ' CD2' ' CD2' ' A' ' 32' ' ' LEU . 3.7 m-30 -98.78 -48.94 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.56 0.27 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.156 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.431 ' CG2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER 77.89 52.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 -55.52 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.25 73.16 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.402 ' HH2' ' CD1' ' A' ' 49' ' ' TRP . 74.9 m95 -54.77 -21.11 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.557 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.83 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.656 ' CD2' ' CD2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.05 -45.74 61.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.495 ' CG1' ' CG1' ' A' ' 18' ' ' VAL . 3.6 mp -61.67 -39.2 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.05 16.7 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.557 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -120.86 -33.73 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.633 ' O ' ' CZ3' ' A' ' 10' ' ' TRP . 13.7 m-70 -82.57 -54.86 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.514 ' CD2' HG22 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -84.73 65.85 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 80.74 0.91 88.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 157.58 -170.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.41 126.92 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.42 107.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -64.7 61.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.589 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER 169.33 54.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.64 80.57 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.288 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER 58.88 113.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 164.79 50.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 179.21 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.61 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -112.58 -34.84 5.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -85.15 -36.68 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -113.68 61.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -172.01 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' CD2' ' HD3' ' A' ' 55' ' ' PRO . 1.5 tp 38.3 -98.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' HIS . 10.0 t-20 41.33 74.08 0.79 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.443 ' HD3' ' CD2' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.01 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.76 -177.18 5.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.5 t -97.97 -19.25 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 177.51 55.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.1 OUTLIER 38.45 88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.5 p 84.76 -175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 74.26 -146.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.611 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 57.5 m95 -62.32 173.65 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.3 p -123.04 -158.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.6 mm-40 -79.84 -80.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -34.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -63.6 -40.67 97.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t0 -66.86 -47.44 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLU . 2.3 mmp_? -59.01 -62.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' ALA . 86.0 mt -37.48 -70.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.497 HG12 ' CG2' ' A' ' 84' ' ' ILE . 13.0 mt -48.25 -50.94 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.1 -14.24 9.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 3.1 mm-40 -125.5 15.65 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -119.89 -11.29 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.88 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 17.2 t-80 -88.53 -24.63 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.31 11.95 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -115.03 -32.14 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.579 ' HB2' ' HB2' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -118.37 -75.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.61 110.44 1.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.535 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 36.07 31.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 1.1 mpt_? -82.98 48.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.88 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -51.55 -37.17 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.03 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.22 35.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.517 ' CG ' ' HB3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -109.98 -36.47 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.497 ' CG2' HG12 ' A' ' 70' ' ' ILE . 3.5 mm -54.47 -53.88 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.95 82.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -63.77 -33.98 76.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.03 6.74 20.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.6 mt -107.23 161.44 22.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.2 -133.37 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.561 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 73.8 mmt-85 47.81 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 p -138.75 -173.15 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.422 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.74 -33.56 52.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.44 -22.29 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.05 -61.28 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.563 HG21 ' CH2' ' A' ' 62' ' ' TRP . 85.9 t -55.48 -60.51 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 10.0 ttpp -36.9 -52.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.4 t-20 -65.61 -54.48 27.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.611 ' CG ' ' NE1' ' A' ' 62' ' ' TRP . 5.4 t60 -45.29 -26.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.601 ' CZ3' ' CG2' ' A' ' 104' ' ' ILE . 2.9 t-105 -63.81 -69.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.5 m-80 -67.19 -4.85 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.2 m -71.7 -79.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -123.48 -13.54 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.601 ' CG2' ' CZ3' ' A' ' 100' ' ' TRP . 3.2 mt -91.92 34.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.8 OUTLIER -149.99 86.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.411 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -64.84 -70.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.32 91.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -104.56 -53.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' VAL . 8.5 t0 38.39 70.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.434 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.487 ' C ' ' H ' ' A' ' 8' ' ' GLY . 35.0 t -93.53 -25.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 20.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.6 67.6 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.81 5.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.704 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 9.4 m95 -79.05 171.9 14.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.463 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.3 p -152.23 -163.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 tmtt? -62.3 -31.26 71.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -51.62 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -50.34 -39.98 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' HA ' HD11 ' A' ' 37' ' ' LEU . 4.0 m-20 -64.24 -29.08 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.576 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -64.43 -29.51 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.574 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.9 tttp -70.06 -46.8 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 HG13 ' A' ' 33' ' ' ILE . 2.2 t -52.66 -38.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.546 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -68.84 -33.39 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.9 -21.94 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 36' ' ' HIS . 1.5 mt -89.02 -44.49 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.983 HG22 HD11 ' A' ' 33' ' ' ILE . 54.9 t -59.82 -34.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -76.5 -40.44 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -73.9 -15.17 61.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.664 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -100.32 -52.58 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 120.55 5.1 10.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.874 HG23 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 71.62 55.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.425 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 -44.31 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -95.81 73.41 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 62.5 m95 -58.16 -17.85 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.29 -29.57 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.88 -55.16 32.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.983 HD11 HG22 ' A' ' 22' ' ' VAL . 4.3 mp -45.37 -61.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.522 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -61.58 -63.24 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 31' ' ' THR . 12.1 tttt -44.06 -28.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.553 ' CD2' HD13 ' A' ' 21' ' ' LEU . 17.6 m80 -84.19 -59.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD22 ' HZ3' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -97.87 92.18 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -161.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.27 -48.84 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.41 -172.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.33 145.39 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.522 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -86.03 13.43 56.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 44' ' ' GLN . 2.6 tptt -80.83 -138.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 35.55 66.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.2 m -166.27 -44.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 108.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 6.5 mtt180 -36.79 -35.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.17 56.55 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.65 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.872 ' HB3' HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -98.79 -21.28 16.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.78 -31.12 10.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 68.6 m95 -62.69 175.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.9 p -124.27 -158.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 14.7 mm-40 -80.85 -82.04 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -29.73 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.67 -41.26 79.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.97 -47.4 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 mtp180 -56.35 -61.55 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.87 HD12 HD11 ' A' ' 88' ' ' LEU . 61.1 mt -37.39 -65.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.966 HD13 HG13 ' A' ' 96' ' ' VAL . 35.5 mt -51.38 -45.49 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 49.8 t80 -66.7 -14.07 62.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -126.87 21.25 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.6 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -117.92 -33.91 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.891 ' CE1' ' CH2' ' A' ' 81' ' ' TRP . 11.4 t60 -69.66 -14.62 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.44 11.54 36.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -114.75 -36.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -123.95 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.591 ' O ' ' ND1' ' A' ' 74' ' ' HIS . . . 161.82 -131.65 2.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.624 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -89.35 25.62 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.18 55.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.891 ' CH2' ' CE1' ' A' ' 74' ' ' HIS . 16.1 m95 -50.86 -36.16 36.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.54 -29.12 61.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.62 -39.62 10.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.0 HG21 HG11 ' A' ' 96' ' ' VAL . 3.8 mm -50.18 -48.56 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -67.06 -45.46 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -41.53 -28.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.46 ' HB2' HD22 ' A' ' 88' ' ' LEU . 11.4 mt -74.25 -51.67 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.87 HD11 HD12 ' A' ' 69' ' ' ILE . 1.1 mm? -98.83 111.23 60.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.55 8.71 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.78 -51.44 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.0 mmt180 -89.24 160.13 17.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -107.2 -169.8 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -74.2 -44.77 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -13.98 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.35 -66.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.0 HG11 HG21 ' A' ' 84' ' ' ILE . 57.9 t -54.91 -51.17 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -42.25 -59.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.5 t-20 -60.27 -44.07 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 20.4 t-160 -48.72 -23.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.655 ' CZ3' HG22 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -68.52 -53.13 25.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.019 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 54.6 m-80 -83.41 -4.44 58.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 50.7 m -73.46 -77.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 m -132.32 -6.78 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.558 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -100.49 35.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.87 HD11 ' C ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.586 HG12 ' H ' ' A' ' 7' ' ' LYS . 2.1 t -128.81 -144.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.586 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.56 28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 111.57 77.14 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.775 ' CZ3' HD12 ' A' ' 37' ' ' LEU . 8.6 m0 -62.5 164.66 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.1 p -152.58 172.62 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -38.15 -32.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -62.02 -55.13 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.805 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.98 -21.15 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.571 ' O ' HD13 ' A' ' 19' ' ' ILE . 3.3 m-20 -91.43 -19.04 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 2.8 pt20 -88.75 -27.89 20.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -47.05 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.739 HG21 HG23 ' A' ' 33' ' ' ILE . 2.1 t -65.03 -37.12 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.658 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -63.07 -72.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -44.76 -22.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.09 HD13 HD13 ' A' ' 32' ' ' LEU . 20.5 mt -81.25 -77.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.92 ' CG2' HD11 ' A' ' 33' ' ' ILE . 4.0 t -41.96 -30.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.25 -49.79 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -68.49 -20.84 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.661 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.7 m-30 -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.739 ' C ' HG22 ' A' ' 27' ' ' THR . . . 49.25 108.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.739 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 160.6 -71.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.689 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.25 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 8.2 mt-30 -109.51 95.3 5.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 25.7 m95 -97.29 -8.73 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -72.9 -49.22 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.09 HD13 HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -49.82 -49.35 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.92 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.4 mp -54.33 -38.64 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.12 14.18 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -116.34 -39.27 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.778 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.9 m-70 -83.47 -10.56 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.805 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -147.01 117.42 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -88.09 169.86 11.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.87 ' C ' HD11 ' A' ' 5' ' ' LEU . . . 105.64 -53.48 0.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.528 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -103.26 153.97 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.47 -172.08 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.88 68.65 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -144.02 -51.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.42 97.07 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' CB ' HG21 ' A' ' 33' ' ' ILE . 1.9 m -162.48 -65.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.777 ' HD2' HG21 ' A' ' 22' ' ' VAL . 4.5 ptm180 -82.91 46.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -105.48 31.14 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -89.89 -50.19 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.658 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -79.0 -17.01 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.68 -63.75 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.598 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 79.8 m95 -62.82 177.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 p -124.6 -156.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.1 mt-10 -82.06 -81.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -44.06 -32.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.976 ' HG2' HD22 ' A' ' 88' ' ' LEU . 2.2 mt-10 -65.94 -41.91 90.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -70.96 -49.14 48.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.1 mmp_? -58.85 -62.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.979 HD12 HD21 ' A' ' 88' ' ' LEU . 27.9 mt -38.74 -70.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.724 HD13 HG13 ' A' ' 96' ' ' VAL . 64.6 mt -43.22 -55.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -50.23 -38.79 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.13 12.2 35.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . . . -111.12 -22.55 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.79 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.8 t-80 -75.51 -15.5 60.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.13 11.45 39.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -112.49 -28.4 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -133.05 -69.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.79 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.36 -122.96 1.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.78 19.41 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 52.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.3 m95 -47.81 -36.98 12.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.999 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.19 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 3.4 mm-40 -109.56 -44.38 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.886 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -44.85 -38.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -75.18 -38.38 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' GLU . 34.2 mttt -62.79 74.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.523 HD13 ' CG2' ' A' ' 69' ' ' ILE . 3.7 mt -156.48 -43.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.979 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -124.53 150.79 65.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.91 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.4 142.17 4.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.48 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 69.8 mmt-85 67.13 125.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 71.8 p -92.43 -139.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 -48.08 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -61.26 -14.39 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -82.26 -69.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.886 HG11 ' CG2' ' A' ' 84' ' ' ILE . 97.7 t -54.43 -50.59 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.631 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.9 ttpp -38.43 -64.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -57.16 -49.32 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 1.053 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.8 t60 -44.59 -28.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.841 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.1 t-105 -61.77 -68.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.452 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 67.8 m-80 -69.43 -3.94 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 22.4 t -72.05 -78.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -126.03 -12.99 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.053 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -90.96 31.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 22.1 mmmt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.05 -27.89 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 16.52 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 176.13 62.9 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 126.24 9.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 7.1 m0 -72.84 160.69 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 10' ' ' TRP . 71.7 p -153.17 171.65 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' THR . 3.0 tptm -39.86 -32.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.08 -51.42 68.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.945 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -53.55 -31.84 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.543 ' O ' HD13 ' A' ' 19' ' ' ILE . 10.0 m-20 -78.21 -47.69 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -53.51 -24.66 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.0 tttp -83.61 -53.35 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.7 t -56.68 -36.5 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.767 HD12 ' CZ2' ' A' ' 49' ' ' TRP . 1.1 mp -65.34 -75.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.639 ' N ' HG22 ' A' ' 19' ' ' ILE . 32.8 tt0 -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.724 ' CD1' ' CD2' ' A' ' 36' ' ' HIS . 41.8 mt -54.62 -56.23 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.645 ' CG2' HD11 ' A' ' 33' ' ' ILE . 21.4 t -61.78 -14.53 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -15.12 33.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -20.35 12.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.872 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.4 m-30 -93.98 -53.46 3.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' ' 27' ' ' THR . . . 145.0 -116.11 0.9 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.502 1.127 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 26' ' ' GLY . 1.0 OUTLIER -163.36 29.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.402 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -132.67 8.0 4.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.469 ' C ' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -120.28 94.01 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.611 ' HA ' HD13 ' A' ' 33' ' ' ILE . 17.6 m95 -84.46 -6.11 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -69.03 -47.84 64.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.356 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.904 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -52.09 -16.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.831 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.8 mp -90.53 -48.66 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.02 28.9 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 31' ' ' THR . 16.8 tttt -126.19 -38.08 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.724 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -85.93 -9.94 56.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.533 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.945 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -142.39 109.62 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -99.65 124.83 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.67 -27.8 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 165.97 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.51 164.62 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.17 96.27 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.57 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.3 96.49 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.7 -77.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 25.4 ptt180 -95.51 76.6 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -110.88 -13.35 14.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -94.76 -90.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.767 ' CZ2' HD12 ' A' ' 19' ' ' ILE . 12.1 p-90 -41.87 -30.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' C ' ' A' ' 48' ' ' ARG . 9.5 t-80 -61.91 -64.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.619 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 64.5 m95 -62.85 174.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 p -123.81 -158.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' ASP . 10.5 mm-40 -80.32 -79.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.57 -34.38 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 70' ' ' ILE . 1.4 mt-10 -65.26 -38.46 90.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.0 OUTLIER -69.59 -50.67 42.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.0 mtp180 -58.49 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.854 HG21 HD11 ' A' ' 88' ' ' LEU . 93.0 mt -36.81 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.701 HD13 HG13 ' A' ' 96' ' ' VAL . 29.3 mt -49.31 -51.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 10.7 t80 -54.82 -23.25 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . 4.3 pt-20 -113.8 11.46 18.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . . . -107.29 -24.03 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.825 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.5 t-80 -75.19 -15.36 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 11.62 38.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -112.06 -30.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -132.48 -73.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.825 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.34 -127.85 1.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.574 ' HA ' ' HE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -88.94 24.24 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -72.22 53.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.746 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 15.9 m95 -47.87 -34.41 8.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.981 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.55 -32.84 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.486 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -102.41 -37.01 8.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.874 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -54.23 -46.99 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 70.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.673 ' HG ' HD13 ' A' ' 88' ' ' LEU . 3.5 tp -165.98 -42.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.854 HD11 HG21 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -100.03 144.79 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.4 Cg_endo -74.95 87.67 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 145.97 5.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 28.7 mmt180 68.8 148.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 14.8 p -114.43 -148.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.67 -50.89 10.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -14.32 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.874 HG11 ' CG2' ' A' ' 84' ' ' ILE . 62.4 t -55.05 -52.34 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.4 ttpp -37.67 -62.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -58.31 -44.93 88.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.828 ' NE2' HD11 ' A' ' 104' ' ' ILE . 3.4 t60 -50.26 -22.65 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.913 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -67.28 -52.85 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 55.5 m-80 -83.81 0.15 48.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 47.5 t -75.05 -75.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.13 -8.38 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.913 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.1 mt -99.25 38.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.48 ' C ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 7' ' ' LYS . 13.6 t -105.06 -131.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.695 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.07 29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 122.67 78.23 0.43 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 8.6 m0 -66.87 160.68 25.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.5 p -152.59 170.63 19.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -42.3 -33.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -58.01 -45.14 87.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.875 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.64 -43.07 94.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LYS . 11.4 m-20 -67.09 -66.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.559 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 5.7 pt20 -38.13 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ASP . 14.2 tttt -76.36 -61.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.739 HG22 HG13 ' A' ' 33' ' ' ILE . 2.2 t -58.1 -16.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.605 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -82.79 -68.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' HG22 ' A' ' 19' ' ' ILE . 38.2 mt-10 -55.28 -19.16 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.944 HD13 HD13 ' A' ' 32' ' ' LEU . 13.1 mt -79.17 -65.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 18' ' ' VAL . 76.3 t -51.36 -20.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 23.4 mttt -72.21 -58.57 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -23.93 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.785 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.1 m-85 -84.53 -58.72 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 30.45 100.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 175.45 -64.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.699 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.3 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -107.7 86.7 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.766 ' CE3' HD13 ' A' ' 33' ' ' ILE . 26.6 m95 -91.89 -5.74 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.0 -42.31 97.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.944 HD13 HD13 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -51.13 -48.23 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.766 HD13 ' CE3' ' A' ' 30' ' ' TRP . 4.6 mp -54.55 -40.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.26 11.17 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -113.49 -38.23 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.814 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.3 m-70 -84.47 -17.37 39.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.875 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -143.52 116.2 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -122.26 113.41 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.92 -34.78 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -128.82 51.7 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 40.33 -166.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.65 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.64 -69.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.96 82.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.8 t -152.66 -47.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' CYS . 82.3 mtt180 -36.2 -33.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -67.08 81.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.61 -54.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.605 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -119.53 -17.12 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.039 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -42.19 75.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.549 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.584 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 75.0 m95 -63.66 176.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.05 -166.27 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mm-40 -75.31 -77.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -47.49 -31.89 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.5 mt-10 -67.43 -32.78 73.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.8 t0 -67.61 -54.75 17.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ILE . 16.3 mmm180 -54.87 -60.37 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.71 HG22 HD21 ' A' ' 88' ' ' LEU . 72.0 mt -37.63 -53.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.732 HD12 HG13 ' A' ' 96' ' ' VAL . 1.3 mm -52.77 -70.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -46.43 -23.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.832 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -77.15 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.984 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.85 -26.97 38.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.71 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 11.9 t-80 -76.45 -18.08 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -101.69 16.45 25.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.8 t -125.96 -40.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -111.94 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.71 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 157.08 -121.9 1.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.62 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.02 58.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -52.88 -33.67 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.04 -23.8 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' ARG . 11.7 mm-40 -113.77 -9.08 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.719 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -81.78 -39.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -72.67 -31.96 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -42.53 -29.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' ALA . 2.2 mp -78.34 -47.95 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.71 HD21 HG22 ' A' ' 69' ' ' ILE . 1.6 mm? -94.89 111.96 56.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 152.48 41.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.07 -31.22 6.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.722 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 34.3 mmt180 -103.52 134.96 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 20.2 p -91.42 -153.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -83.54 -47.8 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.66 -14.25 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.722 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -76.5 -67.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.732 HG13 HD12 ' A' ' 70' ' ' ILE . 67.0 t -57.47 -54.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.636 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.6 ttpp -39.18 -57.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -58.64 -44.0 89.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 1.115 ' CD2' HD11 ' A' ' 104' ' ' ILE . 8.6 t60 -58.07 -21.54 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.567 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.886 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.3 t-105 -67.29 -45.73 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 55.5 m-80 -89.36 0.85 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 16.0 m -74.16 -83.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.86 -5.79 6.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.115 HD11 ' CD2' ' A' ' 99' ' ' HIS . 6.4 mt -88.42 38.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 23.2 mmmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.686 HD23 ' HG2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 7' ' ' LYS . 1.1 t -100.43 -161.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.629 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -84.04 8.33 15.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 178.42 59.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HG2' HD23 ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.99 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.538 ' CE3' ' HB3' ' A' ' 14' ' ' GLU . 12.2 m0 -55.24 172.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 10.5 p -151.49 -163.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -49.71 -34.57 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.574 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.92 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.538 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 11.0 mp0 -51.31 -39.57 57.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -63.5 -28.52 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.574 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -66.5 -28.87 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.527 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 1.2 tttp -67.74 -48.67 65.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.73 HG21 HG23 ' A' ' 33' ' ' ILE . 1.9 t -50.5 -51.19 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.601 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -52.97 -39.6 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.85 -22.29 62.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -83.16 -72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.928 HG22 HD11 ' A' ' 33' ' ' ILE . 17.7 t -40.94 -29.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -70.24 -53.93 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -66.04 -23.23 66.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.639 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.7 m-30 -85.24 -59.45 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.667 ' C ' HG22 ' A' ' 27' ' ' THR . . . 41.54 106.29 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.671 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 165.19 -69.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.671 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 166.89 63.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -125.67 79.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.589 ' CZ3' ' HB3' ' A' ' 45' ' ' CYS . 38.6 m95 -85.09 -8.01 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 108.006 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.49 -41.39 80.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -51.77 -48.4 63.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.928 HD11 HG22 ' A' ' 22' ' ' VAL . 4.9 mp -57.19 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -25.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 31' ' ' THR . 1.4 tmmt? -80.93 -36.69 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 12.4 m170 -84.16 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.576 HD11 ' CG2' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -94.0 92.43 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 36.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.33 -15.23 64.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.67 164.2 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.05 -174.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.86 24.73 19.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -77.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -82.64 52.2 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.589 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -95.66 -52.78 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.0 mtt180 -60.81 80.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' CYS . 6.2 tt0 -149.66 -40.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH1' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -38.08 -34.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -117.23 -42.07 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.029 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.38 -71.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.621 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 42.9 m95 -62.34 -173.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.034 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.7 p -148.81 -163.28 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' ASP . 22.8 mm-40 -73.67 -76.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -44.88 -37.26 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.97 -34.26 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.7 t70 -69.72 -53.26 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 18.0 mmm180 -57.1 -57.99 10.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.513 ' CG2' HD13 ' A' ' 87' ' ' LEU . 65.9 mt -42.01 -73.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.645 HG21 HG13 ' A' ' 96' ' ' VAL . 30.0 mt -45.13 -55.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 24.0 t80 -47.97 -21.02 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -95.97 -45.53 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -53.66 -28.94 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.765 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.4 t-80 -72.23 -13.84 61.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 14.03 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -116.91 -34.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -126.82 -73.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.765 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.23 -118.17 0.84 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.44 19.38 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.35 57.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.674 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.5 m95 -52.66 -33.66 48.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.99 68.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -112.09 -9.83 13.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.641 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -79.31 -45.91 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 91' ' ' ARG . . . -57.92 -17.61 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -69.47 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.542 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -157.17 -37.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.781 ' N ' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -91.95 -175.45 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.583 ' CD ' ' CB ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 1.81 7.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.82 119.79 1.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 88' ' ' LEU . 30.3 mmt180 -148.5 18.97 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.476 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 69.3 p 42.3 -103.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.476 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -163.81 -44.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -15.7 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -73.76 -65.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.645 HG13 HG21 ' A' ' 70' ' ' ILE . 62.1 t -62.9 -48.45 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -38.61 -49.24 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.2 t-20 -74.04 -38.48 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.621 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.1 t60 -52.48 -19.12 2.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -72.41 -49.78 31.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.003 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 58.0 m-80 -87.89 -5.92 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.499 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 23.4 m -72.09 -75.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.8 m -134.71 -7.02 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.55 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 0.8 OUTLIER -99.05 33.74 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' C ' ' H ' ' A' ' 8' ' ' GLY . 12.0 t -83.71 -24.22 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -78.03 16.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.45 67.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 121.81 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.637 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.7 m95 -81.23 168.93 17.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 16.4 p -151.93 -164.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 ttpt -58.28 -34.16 70.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -50.82 -40.61 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 63.5 m-20 -63.08 -30.09 71.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -66.96 -25.81 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 10.5 tttt -67.97 -53.2 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG11 HG23 ' A' ' 33' ' ' ILE . 11.5 t -49.17 -50.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.536 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -58.11 -42.59 83.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.08 -11.82 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -83.23 -50.44 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.875 HG22 HD11 ' A' ' 33' ' ' ILE . 3.9 t -64.8 -26.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -41.24 60.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.34 -23.13 37.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 4.5 m-30 -86.2 -57.69 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 32.37 94.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.551 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -175.43 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.409 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 170.46 46.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.452 HE22 HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -113.34 94.8 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.729 ' HA ' HD13 ' A' ' 33' ' ' ILE . 33.2 m95 -115.26 -4.52 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -44.22 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.067 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.7 -23.61 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.067 ' N ' HD13 ' A' ' 32' ' ' LEU . 2.3 mp -67.91 -49.47 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.65 4.47 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 -18.18 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.808 ' CE1' HD23 ' A' ' 32' ' ' LEU . 9.5 m-70 -88.92 -41.84 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.637 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 2.0 mt -108.04 94.31 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -81.91 -162.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.45 -52.56 3.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.4 173.6 10.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.68 151.68 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -44.7 104.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLY . 7.6 tmtt? -39.41 94.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER 62.65 129.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.1 t -124.48 103.38 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.6 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.3 mtt180 66.54 87.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.25 29.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -178.66 -78.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 108.021 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -40.54 -34.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.604 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 85.0 m95 -102.55 -168.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.493 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -148.73 -165.81 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -77.64 -81.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.47 -27.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.493 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 27.8 mt-10 -70.31 -38.68 74.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.8 t0 -66.38 -49.67 66.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ILE . 19.2 mmm180 -54.52 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 73.9 mt -37.81 -47.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.78 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -56.61 -70.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 2.1 t80 -48.47 -22.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.823 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -76.8 -53.8 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.792 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -64.21 -27.5 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.704 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.5 t-80 -73.13 -15.83 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.55 16.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.8 t -126.16 -41.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.792 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -111.2 -76.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.704 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.87 -118.71 0.87 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 19.08 5.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.609 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.02 57.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.242 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.0 m95 -51.88 -34.34 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.93 -27.27 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.1 mm-40 -110.79 -8.2 14.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.81 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -80.87 -41.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -70.57 -15.66 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.89 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 69' ' ' ILE . 5.4 mp -74.33 -6.27 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.23 159.02 43.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.68 104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.893 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 72.2 mmt-85 -149.36 20.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.548 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 19.9 p 36.86 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -115.35 -37.24 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -14.07 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -80.25 -69.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.81 HG11 ' CG2' ' A' ' 84' ' ' ILE . 58.3 t -58.4 -54.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.0 ttpp -38.68 -63.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -55.71 -52.58 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.977 ' CE1' HD11 ' A' ' 104' ' ' ILE . 16.5 t-160 -46.16 -25.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.848 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.0 t-105 -64.43 -68.12 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.014 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.8 m-80 -69.26 -3.5 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.6 m -72.8 -80.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -123.78 -13.13 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.977 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.6 mt -90.79 31.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 27.7 mmmt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.653 HG12 ' H ' ' A' ' 7' ' ' LYS . 5.8 t -75.09 -133.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.653 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.22 29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 110.79 80.04 1.08 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.63 10.09 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.849 ' CE3' HD22 ' A' ' 37' ' ' LEU . 8.8 m0 -76.7 144.58 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 p -134.83 -166.19 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -39.1 -56.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -44.27 -61.85 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.502 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 17.0 mp0 -52.12 -42.53 63.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.485 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -62.67 -37.52 86.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -59.06 -24.56 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' A' ' 21' ' ' LEU . 3.8 tttm -69.37 -50.77 43.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.854 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.0 t -48.83 -46.18 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.595 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -62.8 -32.9 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.12 -20.83 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.569 HD11 ' HD3' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -78.83 -50.69 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.899 ' CG2' HD11 ' A' ' 33' ' ' ILE . 91.8 t -60.02 -38.04 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -66.79 -34.03 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -82.1 -25.75 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.856 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.2 m-30 -85.42 -59.0 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.679 ' C ' HG22 ' A' ' 27' ' ' THR . . . 47.76 108.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.679 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 164.22 -68.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.353 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.659 ' H ' HG23 ' A' ' 27' ' ' THR . 0.7 OUTLIER 166.41 48.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.84 93.11 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.583 ' CZ2' ' O ' ' A' ' 45' ' ' CYS . 44.3 m95 -100.35 -10.82 20.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -70.6 -41.93 71.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.856 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.57 -47.63 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.899 HD11 ' CG2' ' A' ' 22' ' ' VAL . 5.1 mp -58.1 -47.55 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.38 6.0 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' THR . 14.6 ttpt -111.79 -35.0 5.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.753 ' C ' HD23 ' A' ' 37' ' ' LEU . 12.5 m-70 -84.64 -45.59 12.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.849 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -103.28 67.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.81 -177.88 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 89.41 -35.6 3.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.492 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -116.32 32.09 6.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 41.12 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 44' ' ' GLN . . . -128.7 17.84 5.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLY . 5.3 tttm -40.0 -30.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.3 tm0? -98.79 54.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 30' ' ' TRP . 20.2 p -91.26 17.26 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 50' ' ' HIS . 3.7 mtm105 -158.35 101.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 23.2 tt0 -175.44 110.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 2.6 tmt_? 87.79 -22.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -111.36 -32.46 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.035 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -92.56 -78.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.614 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.595 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 93.1 m95 -94.7 -172.3 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -131.15 -169.87 2.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.0 mt-10 -76.49 -74.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.3 mt-10 -47.65 -33.83 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 3.1 mt-10 -64.23 -26.43 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -75.91 -61.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 69' ' ' ILE . 11.3 ptp180 -56.71 -53.01 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.485 HG22 HD11 ' A' ' 88' ' ' LEU . 84.4 mt -46.19 -73.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.877 HG23 HG21 ' A' ' 84' ' ' ILE . 29.6 mt -45.57 -51.58 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -50.2 -22.81 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.843 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.7 mt-10 -94.66 -47.49 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 1.025 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.99 -19.42 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.859 ' CE1' ' CH2' ' A' ' 81' ' ' TRP . 17.5 t60 -83.5 -18.69 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 7.82 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.8 t -115.24 -32.43 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.025 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -122.2 -69.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.581 ' O ' ' ND1' ' A' ' 74' ' ' HIS . . . 147.35 -124.67 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.64 21.61 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.503 ' HD3' ' CG ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.54 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.859 ' CH2' ' CE1' ' A' ' 74' ' ' HIS . 12.9 m95 -51.29 -36.52 42.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.21 -24.11 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.503 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 7.0 mm-40 -102.94 -35.48 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.877 HG21 HG23 ' A' ' 70' ' ' ILE . 4.2 mm -55.4 -54.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -60.41 -38.18 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -60.45 -22.75 63.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.23 -13.94 39.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.619 HD13 HG12 ' A' ' 70' ' ' ILE . 5.2 mp -131.38 102.74 15.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 104.39 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.536 1.808 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.79 -24.34 0.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.684 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 26.8 mmt180 -133.56 155.63 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 30.1 p -96.91 -166.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.95 -47.13 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -14.75 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.684 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -81.57 -66.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.734 HG11 HG21 ' A' ' 84' ' ' ILE . 54.2 t -54.88 -55.39 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.626 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -36.85 -59.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.9 t-20 -59.74 -52.89 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.993 ' CE1' HD11 ' A' ' 104' ' ' ILE . 15.8 t-160 -45.3 -25.6 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.821 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.7 t-105 -64.19 -68.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 107.972 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.7 m-80 -68.99 -3.89 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 68.4 m -72.17 -80.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.32 -13.28 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.993 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.7 mt -90.18 29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' C ' ' H ' ' A' ' 8' ' ' GLY . 54.2 t -98.49 -25.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.58 18.37 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 167.3 71.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.48 6.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.68 ' CZ3' HD23 ' A' ' 37' ' ' LEU . 7.9 m95 -79.39 171.52 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.469 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 18.4 p -152.08 -162.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 1.9 tttt -64.29 -26.46 68.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.01 -71.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' HD21 ' A' ' 37' ' ' LEU . 72.2 mm-40 -50.65 -40.22 52.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.8 m-20 -64.14 -37.06 86.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -59.99 -24.47 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -70.0 -54.32 13.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.894 HG13 HG13 ' A' ' 33' ' ' ILE . 2.8 t -48.03 -49.19 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.665 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -56.41 -39.43 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.84 -16.34 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -85.72 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.736 ' CG2' HD11 ' A' ' 33' ' ' ILE . 91.9 t -48.22 -25.9 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -59.12 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -11.51 58.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.3 m-30 -95.43 -56.08 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.618 ' C ' HG22 ' A' ' 27' ' ' THR . . . 50.77 97.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.618 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 165.73 -60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.559 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 177.99 -81.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.735 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 40.2 53.05 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.603 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 37.9 m95 -65.92 -24.29 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -67.64 -42.27 82.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -54.36 -53.93 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.894 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -47.18 -80.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -42.51 -49.47 5.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.5 ttmt -59.87 -38.51 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.771 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.5 m-70 -84.12 1.37 44.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.688 ' CD1' HG21 ' A' ' 18' ' ' VAL . 51.2 mt -154.97 93.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -95.47 -172.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.88 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.25 -168.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.83 138.7 31.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.456 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -81.66 7.82 60.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.3 OUTLIER -62.2 -137.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' LYS . 17.9 pt20 35.19 34.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.543 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -119.33 -171.89 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.603 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 47.4 mtp180 36.48 73.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -147.17 -45.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.97 71.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.665 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 21.3 p90 -107.51 -26.25 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.12 -52.85 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.755 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 40.7 m95 -61.98 -175.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 p -144.39 -155.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.1 mt-10 -79.74 -82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -46.63 -27.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.5 mt-10 -71.48 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.3 t70 -66.37 -52.85 42.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 69' ' ' ILE . 29.6 mmm-85 -55.46 -62.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.653 ' CG2' HD21 ' A' ' 88' ' ' LEU . 52.3 mt -35.58 -50.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -53.83 -64.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.8 t80 -59.3 -14.81 12.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -84.84 -33.8 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.585 ' CB ' HD13 ' A' ' 84' ' ' ILE . . . -85.29 -29.43 24.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.753 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.9 t-80 -65.56 -14.14 60.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -103.54 15.09 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -119.51 -37.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.739 HD22 ' HD2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -120.97 -70.19 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.86 -116.76 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.27 20.04 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.739 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.6 55.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.3 m95 -51.71 -37.43 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -25.1 21.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.5 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 2.4 mm-40 -100.24 -41.32 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.057 HG21 HG11 ' A' ' 96' ' ' VAL . 4.0 mm -47.26 -44.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -68.84 -36.11 77.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -59.52 -19.23 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 mt -93.73 -16.31 24.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 84' ' ' ILE . 1.1 mp -129.77 101.41 18.51 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.96 -24.17 0.61 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.571 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 31.5 mmt180 -125.81 158.89 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.2 p -99.6 -164.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -50.6 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -14.22 35.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -75.64 -67.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.057 HG11 HG21 ' A' ' 84' ' ' ILE . 97.1 t -55.78 -53.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -61.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.9 t-20 -57.05 -41.92 79.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.755 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.6 t60 -53.24 -20.31 3.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.539 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -73.78 -43.78 57.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 54.0 m-80 -93.66 -0.92 55.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' ASN . 34.7 m -77.35 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 -6.83 3.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.842 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 16.3 mt -107.26 43.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.555 ' CD ' ' H ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.699 HD12 ' NZ ' ' A' ' 38' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.511 HG12 ' H ' ' A' ' 7' ' ' LYS . 2.8 t -69.32 -133.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 43.29 25.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 112.13 75.7 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.72 23.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.995 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.0 m0 -61.15 150.95 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' LYS . 31.0 p -139.81 -163.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.6 tttt -38.72 -53.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -44.25 -72.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.628 ' CD ' ' CE3' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -50.59 -40.33 52.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.593 ' HA ' HD11 ' A' ' 37' ' ' LEU . 14.0 m-20 -63.53 -28.45 69.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.43 -28.49 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.65 -46.73 68.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.768 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.0 t -52.75 -45.58 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.579 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -57.27 -40.86 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.63 -25.18 63.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.544 HD13 HD13 ' A' ' 32' ' ' LEU . 1.8 mt -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.958 HG22 HD11 ' A' ' 33' ' ' ILE . 3.4 t -52.52 -23.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -55.91 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.68 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -84.31 -58.53 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 31.15 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 178.43 -63.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 0.74 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.679 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.27 45.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -114.25 87.09 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 33.5 m95 -93.65 -7.55 43.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.86 -40.67 91.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.68 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.01 -48.71 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.958 HD11 HG22 ' A' ' 22' ' ' VAL . 4.8 mp -57.97 -54.0 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.51 -5.3 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.4 tttt -99.78 -35.64 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.838 ' C ' HD23 ' A' ' 37' ' ' LEU . 11.6 m170 -84.27 -48.11 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.995 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -105.7 80.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.699 ' NZ ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -74.16 -166.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 90.39 -18.84 47.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -137.19 153.91 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.92 -175.53 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.02 25.09 9.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -53.37 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.366 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.0 48.2 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.578 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -81.16 -42.55 20.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -89.72 -146.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 tt0 85.2 59.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -165.02 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CZ3' HG13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -91.14 -10.64 41.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.991 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -33.16 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.648 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 74.5 m95 -63.78 176.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.022 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 p -124.87 -156.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mm-40 -83.78 -82.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -26.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.599 ' OE1' HD13 ' A' ' 88' ' ' LEU . 2.3 mt-10 -71.86 -42.71 66.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.82 -46.48 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.7 mmm-85 -55.95 -63.38 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ALA . 68.1 mt -37.08 -68.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.984 HD13 HG13 ' A' ' 96' ' ' VAL . 30.0 mt -49.68 -46.79 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.66 -14.98 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' O ' HG21 ' A' ' 76' ' ' VAL . 2.9 pt-20 -127.58 21.41 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.971 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -121.57 -15.61 7.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.951 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 16.2 t-80 -90.56 -23.4 20.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.6 13.83 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 72' ' ' GLU . 4.2 t -118.76 -33.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.971 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -121.68 -76.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.726 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 169.1 -140.96 6.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.57 28.14 3.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.546 ' HD3' HD13 ' A' ' 77' ' ' LEU . 2.7 ptm85 -74.42 48.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.951 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.8 m95 -41.58 -34.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.42 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' HG3' ' A' ' 80' ' ' ARG . 5.3 mm-40 -112.5 -47.4 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.936 ' CG2' HG11 ' A' ' 96' ' ' VAL . 4.1 mm -42.68 -36.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -77.45 -45.78 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -49.62 -23.52 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.55 -39.3 58.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.599 HD13 ' OE1' ' A' ' 66' ' ' GLU . 13.1 mt -104.45 118.17 57.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.03 2.39 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.06 -25.32 1.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 25.4 mmt-85 -110.02 162.51 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 25.1 p -112.43 -55.86 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.3 -64.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -29.11 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -66.29 -66.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.984 HG13 HD13 ' A' ' 70' ' ' ILE . 58.7 t -56.45 -55.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.627 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -38.8 -66.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.1 t-20 -54.41 -53.9 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 28.6 t60 -43.44 -27.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 1.174 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 8.6 t-105 -62.8 -65.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.496 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 70.4 m-80 -75.69 -1.95 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 2.0 t -76.99 -74.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -114.98 -17.18 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.174 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 5.0 mm -86.8 28.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 15.2 mmtt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 8' ' ' GLY . 36.4 t -106.23 -26.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 22.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.09 66.72 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.773 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 7.9 m95 -76.36 170.52 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 19.9 p -152.16 -163.01 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLN . 10.5 tmtt? -60.21 -32.14 70.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -50.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 80.9 mm-40 -51.0 -39.62 56.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.419 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -64.92 -26.97 68.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.576 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.576 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 3.9 tttt -69.78 -39.52 76.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.058 HG11 HG23 ' A' ' 33' ' ' ILE . 7.4 t -64.32 -57.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.621 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -49.29 -29.65 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.19 -28.43 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.485 HD23 ' CE1' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -70.26 -41.13 73.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.599 ' CG2' HD11 ' A' ' 33' ' ' ILE . 44.4 t -69.6 -30.11 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -71.21 -27.85 63.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -26.82 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 26' ' ' GLY . 4.6 m-30 -86.82 -55.82 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.51 101.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 177.64 -66.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.444 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.651 ' H ' HG23 ' A' ' 27' ' ' THR . 12.8 tptt 178.65 37.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -111.44 91.67 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 50' ' ' HIS . 53.9 m95 -109.93 -12.54 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 -44.63 70.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.37 -18.95 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.058 HG23 HG11 ' A' ' 18' ' ' VAL . 17.1 mm -65.82 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -72.88 -30.64 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -27.98 68.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.781 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 11.8 m170 -84.19 -53.19 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.798 HD21 HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.67 96.22 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -84.06 -159.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.78 -56.89 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.68 166.12 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.99 116.65 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.812 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -56.85 -24.24 48.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -153.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 40.98 31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.48 -45.95 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -39.92 -54.33 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.91 86.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.52 -21.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.621 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -155.22 -38.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.05 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 12.4 t-80 -62.23 -39.15 91.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 m120 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.6 m95 -61.84 175.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 59.8 p -135.63 -159.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASP . 4.3 mm-40 -78.04 -79.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 69' ' ' ILE . 6.4 mt-10 -44.67 -40.3 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 16.3 mt-10 -60.28 -36.88 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t0 -63.67 -52.71 59.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.8 mtp180 -59.44 -58.7 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.524 HG22 HD11 ' A' ' 88' ' ' LEU . 67.1 mt -34.92 -47.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -57.15 -66.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 1.5 t80 -58.71 -15.07 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -86.91 -17.54 32.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -105.39 -28.95 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.874 ' CE1' ' CH2' ' A' ' 81' ' ' TRP . 12.4 t60 -70.62 -14.09 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -103.98 14.04 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -119.55 -40.03 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -116.96 -73.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.575 ' O ' ' ND1' ' A' ' 74' ' ' HIS . . . 158.47 -124.72 1.42 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 25.07 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.8 57.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.874 ' CH2' ' CE1' ' A' ' 74' ' ' HIS . 15.0 m95 -53.12 -36.49 60.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.49 53.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -100.5 -35.05 9.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.848 HG21 HG11 ' A' ' 96' ' ' VAL . 4.2 mm -56.15 -52.61 48.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -62.59 -39.43 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -48.62 -28.47 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -34.66 30.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 88' ' ' LEU . 2.1 mp -114.62 105.81 53.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.62 8.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.64 -10.74 75.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.7 mmt180 -148.43 167.41 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 16.7 p -112.2 -171.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -66.14 -67.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -29.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -69.09 -65.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.848 HG11 HG21 ' A' ' 84' ' ' ILE . 98.0 t -53.96 -56.35 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -39.75 -69.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 102' ' ' SER . 5.2 t-20 -55.45 -52.51 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.713 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 26.5 t60 -44.48 -30.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 1.197 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 6.3 t-105 -59.48 -65.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.5 m-80 -74.22 -3.19 28.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.581 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 7.5 t -75.06 -75.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -115.95 -14.41 11.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.197 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 2.8 mm -88.25 28.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.488 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 6.1 mmtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 8' ' ' GLY . 14.0 t -107.68 -22.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 19.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 170.04 65.51 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 140.45 25.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.593 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 10.6 m95 -64.33 160.99 17.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.028 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.8 p -152.97 165.86 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' THR . 12.1 tttm -36.9 -49.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.61 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.07 -46.34 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.774 ' HB2' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -55.01 -41.31 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.459 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.9 m-20 -71.59 -70.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 2.5 pt20 -41.23 -36.57 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.693 ' HD3' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.65 -74.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 33' ' ' ILE . 2.9 t -39.77 -36.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.732 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -62.73 -67.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.3 tt0 -49.33 -21.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.773 HD13 ' CD2' ' A' ' 32' ' ' LEU . 6.0 mt -76.6 -64.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.873 HG22 HD11 ' A' ' 33' ' ' ILE . 11.4 t -50.36 -22.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.09 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -19.54 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.536 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -92.89 -57.01 2.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 25.48 93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -170.25 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.37 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.481 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 165.93 -7.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.507 ' H ' HG23 ' A' ' 27' ' ' THR . 9.2 mt-30 -69.65 83.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.617 ' HA ' HD13 ' A' ' 33' ' ' ILE . 25.7 m95 -91.35 -0.78 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.57 -43.98 58.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.886 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -50.83 -24.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 18' ' ' VAL . 2.8 mp -71.95 -45.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.681 ' HB2' ' HA2' ' A' ' 42' ' ' GLY . . . -101.49 22.72 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -117.45 -32.98 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.693 ' CE1' HD23 ' A' ' 32' ' ' LEU . 6.3 m170 -84.9 -12.87 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.774 HD13 ' HB2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -141.18 115.7 9.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.91 157.05 17.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.27 51.57 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER 170.45 158.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.13 137.92 33.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.681 ' HA2' ' HB2' ' A' ' 34' ' ' ALA . . . -68.01 -10.41 58.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.59 -147.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER 34.14 59.99 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 2.9 p -114.85 170.77 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.336 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.508 ' HB3' ' CD2' ' A' ' 50' ' ' HIS . 4.3 ptt180 35.15 88.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.7 38.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.51 -47.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.732 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -117.77 -8.15 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 108.016 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 25.3 t-80 -95.41 -40.25 9.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.7 m120 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.623 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.3 m95 -62.94 173.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 p -130.07 -157.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mt-10 -81.68 -80.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -45.29 -33.51 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.7 mt-10 -66.11 -38.71 88.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -61.23 -53.51 55.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 69' ' ' ILE . 15.6 mmm180 -56.59 -64.87 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.528 ' C ' ' O ' ' A' ' 68' ' ' ARG . 87.1 mt -30.87 -46.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -58.5 -62.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.676 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -56.88 -56.1 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -56.53 -16.53 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -93.99 -39.69 10.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.799 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.1 t-80 -62.32 -13.41 28.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.577 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.23 15.3 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.5 t -120.15 -38.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.679 HD22 ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -122.0 -70.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.799 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 149.55 -119.93 1.1 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.56 21.53 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.533 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.6 55.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.68 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -51.63 -35.61 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.52 -24.36 55.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.679 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -100.31 -36.79 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.859 HG21 HG11 ' A' ' 96' ' ' VAL . 3.8 mm -53.54 -51.34 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -62.55 -33.95 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 1.85 28.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.418 HD22 ' OE1' ' A' ' 66' ' ' GLU . 9.4 mt -111.43 159.99 30.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.32 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -151.64 -142.55 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' GLY . 29.4 mmt180 55.52 164.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 45.5 p -122.02 -64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.413 ' N ' ' OG1' ' A' ' 92' ' ' THR . 2.1 p-10 -176.43 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -14.16 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.31 -64.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.859 HG11 HG21 ' A' ' 84' ' ' ILE . 92.4 t -54.33 -58.04 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.637 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -38.9 -61.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.444 ' C ' ' HG ' ' A' ' 102' ' ' SER . 0.6 OUTLIER -59.18 -54.85 42.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.734 ' CD2' HD11 ' A' ' 104' ' ' ILE . 11.7 t60 -44.33 -28.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.548 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 1.078 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 7.2 t-105 -62.37 -67.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.465 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.8 m-80 -71.93 -2.81 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.533 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 63.4 m -73.32 -80.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -116.0 -15.4 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.078 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.8 mt -88.86 32.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 14.7 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 8' ' ' GLY . 66.8 t -97.97 -26.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 23.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.7 70.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.59 6.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.667 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m0 -75.51 169.43 18.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.464 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.6 p -152.01 -172.98 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 tptt -49.51 -31.05 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -50.53 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 17.2 mp0 -50.87 -39.88 54.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 74.7 m-20 -63.12 -29.9 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -67.9 -26.97 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 17.5 tttt -65.56 -51.42 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.912 HG11 HG23 ' A' ' 33' ' ' ILE . 9.8 t -51.28 -56.1 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.55 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -54.08 -30.54 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.38 -24.23 32.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.639 HD13 ' CD2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -70.79 -43.43 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.705 ' CG2' HD11 ' A' ' 33' ' ' ILE . 45.6 t -70.55 -37.12 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -16.66 62.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.32 -23.62 12.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.598 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 4.4 m-30 -87.92 -57.28 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 41.74 101.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 174.45 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.391 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.694 ' H ' HG23 ' A' ' 27' ' ' THR . 0.9 OUTLIER 168.93 54.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.527 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 3.6 mt-30 -114.08 98.96 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.712 ' HA ' HD13 ' A' ' 33' ' ' ILE . 33.7 m95 -112.77 -6.11 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.062 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -84.48 -49.08 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.427 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.843 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -50.85 -23.49 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.912 HG23 HG11 ' A' ' 18' ' ' VAL . 2.3 mp -70.91 -45.23 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.18 18.71 16.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.73 -31.62 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.659 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -85.36 -51.9 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.667 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 5.9 mt -84.39 86.28 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -160.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -50.87 4.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.72 -178.55 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -72.55 149.99 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.57 144.69 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 80.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER 63.4 78.51 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.3 p -51.37 136.8 24.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 45.9 mtm-85 43.33 87.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -164.62 126.98 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 9.2 ttm-85 80.91 -3.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.619 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 7.0 m0 -129.5 -67.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.018 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -56.94 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.62 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 80.8 m95 -63.22 176.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.504 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -129.21 -166.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.25 -78.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.23 -27.16 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 20.7 mt-10 -72.33 -41.01 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.09 -50.89 72.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 69' ' ' ILE . 10.5 mtp180 -57.6 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.518 HD13 HD11 ' A' ' 88' ' ' LEU . 76.1 mt -33.56 -38.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -68.14 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.31 -53.46 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 pt-20 -54.24 -47.23 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -61.51 -40.25 93.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.78 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.0 t-80 -65.73 -13.58 59.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.581 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.55 7.14 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.7 t -118.25 -47.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.485 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -104.6 -76.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.86 -128.15 1.99 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 22.67 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.494 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.18 57.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.78 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -51.91 -34.74 42.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.5 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.629 ' OE2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -102.57 -30.15 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.877 HG21 HG11 ' A' ' 96' ' ' VAL . 7.1 mm -57.87 -48.48 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -66.04 -40.02 90.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -29.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.629 HD12 ' OE2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -74.58 -44.15 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 88' ' ' LEU . 1.6 mm? -95.93 113.17 61.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.15 -52.28 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.929 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 81.7 mmt-85 -85.54 152.05 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 42.5 p -110.61 -163.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.425 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -74.29 -64.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -42.14 -30.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.43 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -69.51 -65.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.877 HG11 HG21 ' A' ' 84' ' ' ILE . 93.5 t -57.02 -59.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.1 ttpp -36.63 -59.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.422 HD21 ' HG ' ' A' ' 102' ' ' SER . 0.6 OUTLIER -58.08 -56.98 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.985 ' CE1' HD11 ' A' ' 104' ' ' ILE . 15.2 t-160 -44.02 -27.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.744 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.0 t-105 -63.36 -70.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.036 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.449 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.7 m-80 -68.66 -4.02 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.491 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 70.6 m -71.78 -81.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -121.56 -12.68 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.985 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.1 mt -92.82 34.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 8.5 mmtt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.671 HG12 ' H ' ' A' ' 7' ' ' LYS . 11.7 t -92.1 -130.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.671 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.49 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.19 80.62 0.78 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 123.81 8.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.915 ' CE3' HD22 ' A' ' 37' ' ' LEU . 8.1 m0 -73.91 139.85 45.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.8 p -129.06 -164.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.366 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -42.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.13 -55.46 3.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.516 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -53.01 -43.71 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.642 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.1 m-20 -62.89 -43.73 97.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -52.3 -24.54 7.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 8.9 tttm -71.46 -51.49 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.918 HG13 HG13 ' A' ' 33' ' ' ILE . 1.8 t -47.55 -35.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.562 HD12 ' CZ2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -66.08 -47.06 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.29 -37.98 89.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.752 HD13 ' CD2' ' A' ' 36' ' ' HIS . 3.0 mt -67.06 -46.26 74.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.948 ' CG2' HD11 ' A' ' 33' ' ' ILE . 75.1 t -66.56 -15.01 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.07 -43.99 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -24.69 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 1.091 ' CD2' HD23 ' A' ' 32' ' ' LEU . 5.0 m-85 -85.42 -56.66 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.949 ' O ' HG23 ' A' ' 27' ' ' THR . . . 131.43 -108.71 0.82 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.949 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -179.42 55.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -132.66 -40.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 1.5 mp0 -73.41 -66.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.609 ' HA ' HD13 ' A' ' 33' ' ' ILE . 48.6 m95 68.73 4.69 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -79.28 -38.57 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.091 HD23 ' CD2' ' A' ' 25' ' ' TYR . 1.1 pp -54.44 -50.94 66.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.948 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.8 mp -46.37 -79.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . . . -45.89 -45.35 15.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 31' ' ' THR . 8.7 ttmt -56.65 -35.64 68.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.752 ' CD2' HD13 ' A' ' 21' ' ' LEU . 1.9 m80 -84.06 -66.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.915 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -86.22 60.77 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -66.51 -168.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 113.6 -42.06 2.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.66 34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' ALA . 3.0 mm? -92.06 -172.45 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.77 5.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.35 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 73.85 5.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 21.1 p -127.47 164.41 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 37.46 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -178.62 -40.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -20.99 23.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.617 ' CZ3' HG11 ' A' ' 22' ' ' VAL . 2.3 m0 -92.05 -43.25 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -62.42 -104.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.59 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 71.1 m95 -62.56 176.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.2 -166.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -74.45 -78.61 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.97 -34.62 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 22.5 mt-10 -65.47 -38.61 90.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.9 t70 -60.46 -52.6 64.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' ILE . 18.1 mmm180 -59.17 -61.41 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 77.9 mt -36.5 -50.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -57.07 -67.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -51.15 -19.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -80.2 -62.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -50.96 -36.39 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.78 ' CE1' ' CH2' ' A' ' 81' ' ' TRP . 12.9 t60 -61.87 -14.25 32.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.57 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -121.55 -40.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -115.77 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.531 ' O ' ' ND1' ' A' ' 74' ' ' HIS . . . 155.76 -119.54 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 22.12 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 56.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.78 ' CH2' ' CE1' ' A' ' 74' ' ' HIS . 12.6 m95 -52.52 -36.67 55.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.45 -23.39 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.649 ' O ' HD12 ' A' ' 87' ' ' LEU . 27.4 mm-40 -101.91 -33.95 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.072 HG21 HG11 ' A' ' 96' ' ' VAL . 5.8 mm -52.94 -50.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.52 -45.31 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.05 -29.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -76.02 -50.7 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.2 mt -94.62 118.26 66.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.58 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.78 -23.08 0.62 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.494 ' HG3' ' CH2' ' A' ' 62' ' ' TRP . 21.6 mmt180 -108.06 170.76 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 40.7 p -123.37 -65.56 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.435 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -172.42 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -14.33 29.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -77.06 -68.05 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.072 HG11 HG21 ' A' ' 84' ' ' ILE . 67.0 t -56.03 -54.48 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.3 ttpp -40.79 -61.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.402 HD21 ' HG ' ' A' ' 102' ' ' SER . 0.6 OUTLIER -55.54 -53.52 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.959 ' CE1' HD11 ' A' ' 104' ' ' ILE . 17.3 t-160 -45.18 -26.43 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.833 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.7 t-105 -64.27 -68.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.1 m-80 -68.95 -3.33 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.473 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.2 m -72.84 -81.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.32 -13.64 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.959 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.7 mt -89.95 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 16.1 mmmt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.452 ' C ' ' H ' ' A' ' 8' ' ' GLY . 65.1 t -74.99 -30.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.81 17.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.75 65.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.23 37.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.621 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 11.0 m95 -72.46 157.53 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.499 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.9 p -152.95 174.31 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.53 -31.11 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -63.5 -15.32 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' CD ' ' C ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -89.01 -42.92 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.607 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 10.5 pt20 -85.66 -42.39 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.5 ttmm -72.4 -51.75 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.864 HG13 HG13 ' A' ' 33' ' ' ILE . 3.0 t -55.85 -40.16 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.672 ' HA ' ' HH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -61.52 -53.06 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -17.6 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' A' ' 32' ' ' LEU . 1.3 mt -90.34 -48.41 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.871 ' CG1' HG23 ' A' ' 27' ' ' THR . 59.6 t -50.09 -23.77 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 13.3 ptpt -91.58 -43.82 9.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -70.38 -11.79 61.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CE1' HD23 ' A' ' 21' ' ' LEU . 3.3 m-85 -108.68 -49.54 3.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.82 -1.23 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.871 HG23 ' CG1' ' A' ' 22' ' ' VAL . 1.2 m 82.08 26.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 -67.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.701 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.8 mt-30 -74.39 83.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' CG ' ' A' ' 46' ' ' ARG . 27.9 m95 -67.59 -7.03 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -72.28 -42.25 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.92 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -51.45 -25.31 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.879 HD12 HD13 ' A' ' 32' ' ' LEU . 2.8 mp -71.94 -41.85 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.72 23.69 12.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -118.97 -32.8 4.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.676 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -84.19 -21.6 31.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.574 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.621 ' HB2' ' CH2' ' A' ' 10' ' ' TRP . 3.3 mm? -102.43 96.73 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 109.66 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 173.32 -30.95 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 79.68 60.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 3.0 mm? -86.47 -175.97 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.44 44.22 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -128.78 -74.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -70.69 61.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.6 p -100.15 140.83 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.586 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 50.4 mtt180 65.44 87.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -165.87 67.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -179.72 -42.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.742 ' CZ2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -109.98 -22.18 11.96 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.87 -72.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 22.5 m95 -65.16 -176.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 67' ' ' ASP . 7.5 m -157.38 -133.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 mt-10 -95.05 -77.05 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -40.09 -66.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.771 ' CD ' HD22 ' A' ' 88' ' ' LEU . 1.5 mt-10 -46.78 -29.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 6.6 t0 -63.82 -59.24 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' GLU . 53.1 mtp180 -57.64 -54.48 46.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ARG . 96.9 mt -38.8 -50.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.786 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -55.86 -69.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -50.38 -20.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -77.17 -44.2 31.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.589 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -73.7 -35.89 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.744 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.8 t-80 -65.83 -14.39 61.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -103.66 16.31 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 72' ' ' GLU . 6.5 t -125.88 -41.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.614 HD22 ' HG2' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -113.27 -77.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.744 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.99 -123.7 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 21.46 3.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.54 56.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.684 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.2 m95 -51.54 -34.62 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 108.032 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.76 -26.61 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.614 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -110.41 -19.73 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.681 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -69.62 -47.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -62.61 -24.89 67.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.09 1.22 24.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.771 HD22 ' CD ' ' A' ' 66' ' ' GLU . 25.3 mt -113.28 160.79 30.0 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.34 11.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -170.04 -135.34 1.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 90' ' ' GLY . 18.3 mmt180 55.35 165.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -119.89 -177.47 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -72.33 -43.67 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -14.25 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.42 -63.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 70' ' ' ILE . 57.6 t -59.89 -51.64 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 9.7 ttpp -43.43 -56.71 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -62.17 -36.76 82.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 1.073 ' CD2' HD11 ' A' ' 104' ' ' ILE . 9.6 t60 -61.2 -25.79 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.928 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.6 OUTLIER -64.8 -45.48 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.511 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 54.4 m-80 -89.96 1.47 56.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.527 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 28.8 t -75.39 -84.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.14 -7.13 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.073 HD11 ' CD2' ' A' ' 99' ' ' HIS . 7.3 mt -87.27 38.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 21.3 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.782 HD21 ' HA3' ' A' ' 39' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 7' ' ' LYS . 2.7 t -121.72 -143.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.71 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 38.39 28.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.51 78.59 0.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.64 7.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.591 ' CZ3' HD23 ' A' ' 37' ' ' LEU . 7.6 m0 -72.34 148.8 44.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.9 p -135.36 -167.79 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -40.32 -58.91 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -41.34 -56.97 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.7 mp0 -52.83 -44.92 67.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -62.2 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.571 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -53.93 -23.21 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.8 tttm -69.76 -53.46 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.867 HG13 HG13 ' A' ' 33' ' ' ILE . 2.2 t -45.77 -49.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.593 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -58.47 -37.7 65.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -76.65 -15.64 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -85.1 -59.95 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.763 HG22 HD11 ' A' ' 33' ' ' ILE . 2.7 t -57.49 -24.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -73.19 -56.16 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -68.73 -20.8 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.713 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.9 m-30 -85.11 -58.6 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.22 96.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.582 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -178.45 -59.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.582 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 166.58 54.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.558 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 31.3 mt-30 -120.28 97.15 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.745 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.5 m95 -113.91 -7.65 13.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.997 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -76.13 -39.98 53.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -52.97 -51.63 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.867 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -43.09 -47.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.62 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.5 ttpt -74.02 -37.89 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.5 m-70 -84.48 -59.3 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.591 HD23 ' CZ3' ' A' ' 10' ' ' TRP . 1.3 mt -87.88 76.41 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.94 -163.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.782 ' HA3' HD21 ' A' ' 5' ' ' LEU . . . 87.5 -33.68 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -174.9 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.2 mm? -69.95 141.34 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -35.72 129.76 0.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' GLN . 4.5 tptp -44.42 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.1 mp0 38.55 77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 26.6 p -48.47 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.621 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 6.0 mtp180 77.53 117.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER 165.6 -29.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -42.45 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -110.1 -23.35 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -40.51 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 91' ' ' ARG . 80.6 m95 -101.69 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 p -138.22 -167.75 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' ASP . 9.8 mt-10 -74.23 -73.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.6 mt-10 -46.02 -42.23 13.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.485 ' OE1' HD13 ' A' ' 88' ' ' LEU . 6.9 mt-10 -60.56 -23.17 64.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -78.88 -62.47 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 10.6 ptp180 -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.775 HG21 HD11 ' A' ' 87' ' ' LEU . 31.4 mt -56.52 -76.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 39.1 mt -43.13 -45.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 3.7 t80 -48.34 -36.36 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 1.013 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.6 pt-20 -97.33 -34.55 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.662 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -54.33 -19.29 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.915 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 7.6 t-80 -87.15 -21.73 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -99.12 11.77 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.9 t -115.09 -18.35 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 -61.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.721 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 146.51 -65.48 0.42 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -158.09 24.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -70.87 60.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.915 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 19.0 m95 -51.75 -36.0 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.91 60.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' ARG . 17.6 mm-40 -104.28 -27.13 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.966 ' CG2' HG11 ' A' ' 96' ' ' VAL . 6.1 mm -61.89 -40.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -75.01 -26.89 59.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 7.2 mttt -56.68 -40.66 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.775 HD11 HG21 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -74.62 -2.94 28.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.485 HD13 ' OE1' ' A' ' 66' ' ' GLU . 81.9 mt -117.88 161.53 33.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.97 3.28 5.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.538 1.809 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.97 -133.4 2.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.996 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 58.8 mmt-85 73.0 2.69 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.865 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 80.7 p 36.74 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -27.19 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.16 -16.92 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.996 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -89.52 -56.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.966 HG11 ' CG2' ' A' ' 84' ' ' ILE . 61.8 t -54.81 -52.68 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -51.13 -55.81 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.7 t-20 -59.86 -54.18 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.962 ' CE1' HD11 ' A' ' 104' ' ' ILE . 14.8 t-160 -43.62 -28.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.828 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 3.4 t-105 -61.78 -68.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.005 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.2 m-80 -70.41 -4.14 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.531 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.3 t -71.34 -78.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.87 -12.65 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.962 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.8 mt -91.62 34.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 2.5 mmmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.56 HD22 ' HA2' ' A' ' 39' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.783 HG12 ' N ' ' A' ' 7' ' ' LYS . 32.4 t -82.88 -100.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.783 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -101.1 26.88 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.583 ' H ' ' HD3' ' A' ' 9' ' ' PRO . . . 99.1 64.66 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.583 ' HD3' ' H ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.0 138.82 23.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 1.08 ' CE3' HD22 ' A' ' 37' ' ' LEU . 28.4 m95 -112.7 -85.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.038 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.1 p 69.76 157.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttp -32.52 -38.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.63 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 2.3 tt0 -54.66 -28.81 49.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.768 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -67.86 -44.76 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.605 ' O ' HD13 ' A' ' 19' ' ' ILE . 12.9 m-20 -70.35 -65.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.95 -24.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.963 ' C ' HD12 ' A' ' 21' ' ' LEU . 9.7 mttt -71.94 -81.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.887 HG22 ' HA ' ' A' ' 33' ' ' ILE . 49.8 t -48.76 -23.22 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.631 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -76.73 -76.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.04 -13.9 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.963 HD12 ' C ' ' A' ' 17' ' ' LYS . 20.9 mt -84.1 -78.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 33' ' ' ILE . 55.9 t -42.24 -26.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.7 mmtp -71.62 -54.2 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -75.83 -11.47 59.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 26' ' ' GLY . 2.8 m-85 -96.44 -59.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.24 99.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -178.04 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.661 ' H ' HG23 ' A' ' 27' ' ' THR . 5.6 tmtt? 166.62 41.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -104.63 73.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.811 ' HA ' HD13 ' A' ' 33' ' ' ILE . 76.0 m95 -70.17 -18.82 63.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -65.97 -29.27 69.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.017 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.36 -20.6 64.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.887 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.0 mp -78.03 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.619 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . . . -66.35 -32.39 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' THR . 5.2 ttmm -64.84 -35.41 81.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.708 ' CE1' HD22 ' A' ' 32' ' ' LEU . 1.2 m80 -102.39 29.08 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.08 HD22 ' CE3' ' A' ' 10' ' ' TRP . 46.2 mt -153.25 133.39 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 81.47 164.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.56 ' HA2' HD22 ' A' ' 5' ' ' LEU . . . -49.06 -22.29 3.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.3 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.614 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.2 mm? -64.32 -104.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' HA3' ' HA ' ' A' ' 34' ' ' ALA . . . 103.04 23.05 8.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -38.14 -32.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mt-30 -71.11 80.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 60.9 m -111.76 -175.44 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 30' ' ' TRP . 55.5 mtt180 38.13 51.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.24 49.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -150.09 -47.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.61 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -115.64 -36.65 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.143 . . . . 0.0 108.037 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -51.22 -58.47 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m120 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.275 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 3.8 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.611 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 60.5 m95 -64.23 173.49 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.1 p -131.28 -155.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.5 mm-40 -81.78 -82.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -34.6 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 31.7 mt-10 -64.17 -37.46 87.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t0 -66.57 -52.02 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -55.84 -60.52 3.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.6 mt -36.6 -49.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.447 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -52.98 -62.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 4.7 t80 -62.74 -14.99 51.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.537 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -87.71 -12.61 44.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.702 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -109.18 -33.61 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.825 ' CE1' ' CH2' ' A' ' 81' ' ' TRP . 17.2 t60 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 14.95 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.7 t -121.16 -40.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -114.78 -73.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.545 ' O ' ' ND1' ' A' ' 74' ' ' HIS . . . 157.99 -122.81 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.17 23.84 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 57.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.825 ' CH2' ' CE1' ' A' ' 74' ' ' HIS . 13.7 m95 -52.67 -36.3 56.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.38 -22.47 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.461 ' O ' HD13 ' A' ' 87' ' ' LEU . 25.1 mm-40 -102.59 -30.54 10.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.839 HG21 HG11 ' A' ' 96' ' ' VAL . 4.6 mm -59.61 -48.78 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -64.15 -34.06 77.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 4.5 mmtp -56.66 -37.99 71.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 83' ' ' GLU . 9.2 mp -74.51 -14.53 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.423 ' CD2' HG21 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -94.99 166.19 15.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 2.83 6.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.23 104.95 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.878 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 1.2 mmt180 -154.17 22.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.801 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 6.4 p 45.69 -174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -98.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.34 -30.21 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.878 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -67.7 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.839 HG11 HG21 ' A' ' 84' ' ' ILE . 89.1 t -53.39 -54.69 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.65 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -43.35 -64.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.9 t-20 -56.92 -51.67 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.991 ' CD2' HD11 ' A' ' 104' ' ' ILE . 6.0 t60 -44.82 -26.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.882 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.6 t-105 -63.81 -69.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.448 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.9 m-80 -67.82 -4.85 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 66.9 m -71.3 -79.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -122.39 -13.58 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.991 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.9 mt -92.05 35.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 5.0 mmtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.82 HD22 ' HA3' ' A' ' 39' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.591 HG12 ' N ' ' A' ' 7' ' ' LYS . 98.6 t -69.74 -105.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.591 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -84.01 35.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.686 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 79.67 47.85 7.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.77 ' C ' HG23 ' A' ' 11' ' ' THR . 11.8 m95 -115.93 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.2 p 70.11 -166.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -73.22 -18.59 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.64 -62.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.866 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -52.46 -22.09 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.618 ' O ' HD13 ' A' ' 19' ' ' ILE . 14.2 m-20 -89.95 -22.7 21.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -81.57 -26.51 34.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -82.43 -54.44 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.793 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.2 t -57.09 -29.98 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.63 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -72.82 -66.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HA ' ' CG ' ' A' ' 23' ' ' LYS . 3.0 tt0 -51.84 -20.17 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.626 HD13 HD13 ' A' ' 32' ' ' LEU . 10.4 mt -86.88 -50.75 6.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.831 ' CG1' HG23 ' A' ' 27' ' ' THR . 2.4 t -56.1 -38.85 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -73.19 -38.24 66.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -72.73 -21.8 60.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.881 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -94.61 -50.54 5.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 126.42 1.27 7.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.831 HG23 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 75.28 53.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 0.77 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -128.58 -62.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.56 78.27 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CE3' HD13 ' A' ' 33' ' ' ILE . 54.3 m95 -63.36 -14.64 52.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.15 70.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.881 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -50.63 -49.08 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.793 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.1 mp -52.32 -38.67 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.82 ' HB2' ' O ' ' A' ' 42' ' ' GLY . . . -97.47 12.76 32.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.68 -40.85 3.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.763 ' O ' HD23 ' A' ' 37' ' ' LEU . 8.4 m-70 -83.47 -16.43 45.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.866 HD22 ' HG3' ' A' ' 14' ' ' GLU . 5.9 mt -125.78 69.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -86.29 44.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.82 ' HA3' HD22 ' A' ' 5' ' ' LEU . . . -84.42 -32.24 22.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 ttt180 -170.83 78.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.554 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.29 97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.82 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -82.27 41.5 2.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -67.95 -23.42 65.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.05 77.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' LYS . 23.3 p -79.76 167.05 21.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' CYS . 75.4 mtm180 36.22 90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 33.5 tt0 -162.77 133.62 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 7.9 mmt85 66.2 19.39 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.63 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 1.2 t90 -140.27 -48.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER -98.46 -88.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.607 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 76.9 m95 -103.87 -170.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 108.04 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -137.99 -159.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.3 mt-10 -79.65 -77.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.81 -33.17 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.8 -34.85 78.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.5 t70 -69.87 -55.39 9.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ILE . 8.0 mtp180 -59.17 -61.77 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 72' ' ' GLU . 74.6 mt -39.77 -73.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 96' ' ' VAL . 35.8 mt -45.8 -53.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 3.7 t80 -54.4 -14.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -104.75 -43.95 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.575 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -49.97 -40.77 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.786 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.4 t-80 -61.77 -13.22 21.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.553 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.96 15.64 28.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.485 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -120.64 -39.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.786 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.92 -125.94 1.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.09 24.09 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 56.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.754 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.4 m95 -52.15 -36.45 51.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.82 -27.35 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.65 -34.83 10.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.008 HG21 HG11 ' A' ' 96' ' ' VAL . 5.2 mm -54.0 -52.17 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -62.84 -48.88 77.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -48.99 -27.59 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -36.21 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ALA . 20.4 mt -114.24 108.67 49.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 118.26 5.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.465 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . 144.56 -35.06 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 68.3 mmt-85 -120.08 157.02 29.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 0.744 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 20.1 p -103.84 -172.29 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -65.35 -65.42 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -29.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -69.5 -64.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.008 HG11 HG21 ' A' ' 84' ' ' ILE . 55.5 t -56.99 -56.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.61 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.1 ttpp -39.61 -58.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.6 t-20 -60.56 -39.81 89.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.607 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.2 t60 -55.15 -17.8 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.699 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -73.08 -49.44 28.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.428 ' HA ' ' HG2' ' A' ' 105' ' ' LYS . 58.8 m-80 -87.92 -5.6 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.516 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 48.7 m -71.7 -79.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -129.96 -10.64 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.699 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 2.2 mm -90.51 31.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.758 HD23 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 8' ' ' GLY . 7.5 t -86.67 93.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.83 19.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 95.01 83.97 1.64 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.758 ' HD2' HD23 ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.99 111.22 3.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.768 ' CH2' HD12 ' A' ' 37' ' ' LEU . 9.7 m0 -113.55 165.78 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.485 HG23 ' C ' ' A' ' 10' ' ' TRP . 71.3 p -154.71 172.94 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.8 tttt -39.81 -32.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.35 -51.05 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.858 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -54.1 -19.6 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.672 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -92.47 -28.55 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 4.6 pt20 -78.57 -30.15 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.17 -54.27 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.788 HG22 HG13 ' A' ' 33' ' ' ILE . 2.6 t -58.12 -24.37 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.693 HG22 ' N ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -71.91 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.693 ' N ' HG22 ' A' ' 19' ' ' ILE . 5.7 pt-20 -49.65 -22.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.716 ' HB3' HD13 ' A' ' 32' ' ' LEU . 33.0 mt -78.03 -61.7 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.76 ' CG2' HD11 ' A' ' 33' ' ' ILE . 2.6 t -56.16 -18.73 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -77.72 -51.28 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -19.22 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.902 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -93.71 -53.71 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.95 ' O ' HG23 ' A' ' 27' ' ' THR . . . 142.24 -99.9 0.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.95 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -178.37 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 0.807 . . . . 0.0 110.355 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.26 19.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 31' ' ' THR . 33.8 mt-30 -125.17 60.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.796 ' HA ' HD13 ' A' ' 33' ' ' ILE . 12.1 m95 -54.99 -19.65 7.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.041 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -56.49 -47.54 79.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.902 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -54.38 -19.59 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.796 HD13 ' HA ' ' A' ' 30' ' ' TRP . 4.6 mp -90.14 -43.64 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.584 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -94.73 19.96 9.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 31' ' ' THR . 3.5 ttmm -122.06 -40.07 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.552 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 1.1 m80 -82.93 -8.53 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.858 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -136.65 95.41 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.73 77.56 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' HD22 ' A' ' 5' ' ' LEU . . . -152.54 -39.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' HB2' ' NE1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -127.81 -170.48 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.7 -173.5 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -148.69 84.65 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' N ' ' CZ3' ' A' ' 30' ' ' TRP . 7.2 tmtt? -169.3 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -96.46 85.45 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -163.52 -89.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.694 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -81.85 81.61 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.76 -49.94 7.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.3 44.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 10.9 t90 -155.92 -47.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.584 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m120 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.636 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 43.2 m95 -63.67 177.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 p -141.93 -155.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mt-10 -81.25 -83.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -25.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.478 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 6.7 mt-10 -72.11 -44.73 62.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLU . 7.8 t0 -60.37 -50.59 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ILE . 22.0 mmm180 -54.38 -65.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' ARG . 68.8 mt -36.66 -43.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -61.68 -70.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -45.47 -26.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 mt-10 -78.81 -73.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.41 -25.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.763 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.1 t-80 -67.05 -46.2 75.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.565 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.9 pttt -82.41 6.04 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.4 t -114.87 -13.93 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.652 HD12 ' CD1' ' A' ' 84' ' ' ILE . 1.6 mt -127.85 -48.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.5 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 97.12 95.07 1.89 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.514 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 44.02 22.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.24 49.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.763 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 8.9 m95 -45.61 -34.38 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 108.024 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.88 -23.66 19.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ARG . 14.3 mm-40 -115.76 -45.99 2.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.803 HG21 HG11 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -42.62 -33.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.832 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -79.5 -44.04 22.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' GLU . 12.0 mtpt -50.92 -24.21 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -35.82 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.451 HD11 HG22 ' A' ' 69' ' ' ILE . 6.3 mp -107.42 114.96 60.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.58 5.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.89 1.93 23.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.832 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 14.4 mmt180 -132.83 125.67 30.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.2 p -88.29 -174.48 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 12.8 p-10 -72.56 -31.12 65.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -17.06 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -61.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.803 HG11 HG21 ' A' ' 84' ' ' ILE . 42.4 t -65.21 -59.78 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 12.0 ttpp -34.52 -43.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 0.7 OUTLIER -73.55 -58.15 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 1.03 ' CE1' HD11 ' A' ' 104' ' ' ILE . 14.5 t-160 -44.84 -27.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.783 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 4.0 t-105 -63.34 -68.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.2 m-80 -69.75 -3.55 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 71.1 m -72.17 -81.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -121.69 -13.05 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.03 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.5 mt -91.81 34.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.1 mmmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.562 HG12 ' H ' ' A' ' 7' ' ' LYS . 3.7 t -95.77 -133.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.44 29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.94 79.55 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.93 18.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.666 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.1 m0 -85.07 157.53 20.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 14' ' ' GLU . 31.7 p -147.66 -164.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -39.27 -54.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -44.76 -40.57 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.93 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.5 -48.03 80.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.505 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -61.19 -43.82 98.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -55.49 -21.61 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -70.83 -58.78 3.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.838 HG13 HG13 ' A' ' 33' ' ' ILE . 41.8 t -44.59 -32.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.63 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -71.12 -51.7 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -25.53 67.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -74.44 -63.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.819 HG22 HD11 ' A' ' 33' ' ' ILE . 77.3 t -47.85 -21.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -75.62 -47.13 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -3.54 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 3.2 m-85 -108.53 -53.55 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.93 ' O ' HG23 ' A' ' 27' ' ' THR . . . 117.11 -92.63 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -179.89 36.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.791 . . . . 0.0 110.426 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -34.72 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 32' ' ' LEU . 22.9 mt-30 -109.61 70.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.414 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 58.3 m95 -62.9 -11.6 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.575 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.18 -43.52 77.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.928 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -52.27 -25.62 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.838 HG13 HG13 ' A' ' 18' ' ' VAL . 1.9 mp -75.21 -42.81 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.46 16.82 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -116.37 -24.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.635 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -89.73 -49.35 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.93 HD22 ' HG3' ' A' ' 14' ' ' GLU . 3.4 mt -83.96 80.76 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -74.5 -165.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.63 -51.86 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.6 -175.88 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.18 177.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.37 -122.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.67 72.23 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 65.28 100.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.0 p -79.91 121.44 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 63.29 88.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -171.17 44.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.42 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.48 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.57 -31.57 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.032 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.85 -42.27 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.706 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 45.1 m95 -61.02 172.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.0 p -134.5 -156.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mm-40 -78.37 -81.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.05 -37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 20.7 mt-10 -61.98 -41.03 97.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -59.37 -54.79 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.2 mmp_? -54.92 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 68' ' ' ARG . 84.6 mt -33.78 -50.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 84' ' ' ILE . 1.0 OUTLIER -54.31 -65.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 1.9 t80 -61.08 -13.16 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -94.18 -12.95 27.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.62 ' CB ' HD13 ' A' ' 84' ' ' ILE . . . -111.83 -18.06 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.864 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 30.1 t-80 -76.0 -24.4 55.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 11.7 33.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -112.33 -24.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -122.15 -60.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.646 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.3 -54.92 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -161.34 24.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.434 ' CG ' ' HG3' ' A' ' 83' ' ' GLU . 3.2 mpt_? -71.87 61.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.864 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 15.6 m95 -55.17 -37.13 66.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.12 -16.51 13.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 3.6 mt-10 -109.83 -40.59 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.841 HG21 HG11 ' A' ' 96' ' ' VAL . 5.7 mm -47.24 -40.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.56 -38.11 88.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 38.0 mttt -50.53 -21.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.66 -31.0 18.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.4 mm? -93.65 159.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 83.11 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.9 98.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.575 ' HD2' ' CH2' ' A' ' 62' ' ' TRP . 30.2 mmt180 -146.2 16.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' ARG . 22.4 p 36.65 -105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.95 -46.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.75 -14.99 24.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -74.94 -67.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 84' ' ' ILE . 92.9 t -56.39 -58.96 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.8 ttpp -38.44 -59.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.64 -40.13 86.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.82 ' NE2' HD11 ' A' ' 104' ' ' ILE . 3.4 t60 -59.48 -25.16 64.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.983 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.6 t-105 -66.81 -47.93 70.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.031 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 58.9 m-80 -87.83 1.19 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.529 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 47.7 m -76.7 -77.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.21 -8.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.983 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.1 mt -98.14 39.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.536 ' C ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.655 HD13 ' C ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.808 HG12 ' N ' ' A' ' 7' ' ' LYS . 24.2 t -71.52 -99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.808 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.0 34.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.0 49.33 7.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.656 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.678 ' CZ3' HD13 ' A' ' 37' ' ' LEU . 10.6 m0 -113.17 164.97 12.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.4 p -153.03 170.85 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 3.5 tttt -42.56 -32.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.649 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.92 -44.87 94.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.602 ' HB3' HD22 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -56.57 -40.21 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.459 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.2 m-20 -73.86 -68.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.649 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.47 -24.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 21' ' ' LEU . 16.2 mttt -70.35 -80.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.101 HG21 HD11 ' A' ' 37' ' ' LEU . 39.2 t -41.88 -26.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.674 HG22 ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -72.53 -82.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.674 ' N ' HG22 ' A' ' 19' ' ' ILE . 4.0 mt-10 -52.64 -18.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.964 HD13 HD13 ' A' ' 32' ' ' LEU . 77.9 mt -76.52 -65.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 26' ' ' GLY . 2.1 t -49.57 -24.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -34.64 50.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 21' ' ' LEU . 4.1 ttpt -93.85 -5.38 48.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.993 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.0 m-85 -111.43 -52.3 2.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 27' ' ' THR . . . 120.78 -106.68 1.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.14 54.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.392 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.27 -40.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.726 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 2.3 mt-30 -74.83 -66.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 46' ' ' ARG . 37.5 m95 68.64 -0.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -76.3 -39.06 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.993 HD23 ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -52.46 -46.97 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.754 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.6 mp -54.46 -38.09 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.497 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . -94.68 10.48 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -117.91 -42.23 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.821 ' O ' HD23 ' A' ' 37' ' ' LEU . 7.7 m-70 -84.22 1.86 42.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.101 HD11 HG21 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -141.05 142.75 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.655 ' C ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 79.8 139.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.48 0.18 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -170.03 -52.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 3.3 mm? -63.89 -169.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.497 ' HA3' ' CB ' ' A' ' 34' ' ' ALA . . . -172.67 30.94 0.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.89 -29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.8 tt0 -82.89 56.45 3.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -89.55 164.08 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.57 ' HG2' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 36.32 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.64 54.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HG2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -154.5 -44.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -121.53 -8.0 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -80.77 -54.48 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 2.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.581 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 71.8 m95 -62.8 175.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 -166.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mt-10 -75.13 -79.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.43 -33.21 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.8 mt-10 -66.64 -40.98 88.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 10.5 t0 -60.34 -53.16 60.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ILE . 28.1 mmm-85 -54.87 -61.73 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' ARG . 68.6 mt -37.67 -43.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -63.36 -68.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -49.47 -20.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.705 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -82.05 -69.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.673 ' HB3' HD13 ' A' ' 84' ' ' ILE . . . -48.39 -37.85 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 32.0 t-80 -59.12 -29.37 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.571 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.5 pttt -93.62 11.03 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 72' ' ' GLU . 12.5 t -117.9 -20.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.593 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -123.77 -63.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.609 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.8 -57.62 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.78 23.91 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.85 59.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -52.91 -36.21 59.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.85 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.593 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -105.26 -30.12 9.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.009 HG21 HG11 ' A' ' 96' ' ' VAL . 8.2 mm -54.35 -49.1 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.85 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -62.78 -35.65 80.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.18 -18.85 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.994 ' O ' HD23 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -93.23 16.69 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -138.11 179.34 1.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.49 112.91 1.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.898 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -153.12 21.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.322 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.85 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 25.0 p 43.3 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.11 -46.67 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.8 OUTLIER -50.83 -32.64 20.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -66.59 -64.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.009 HG11 HG21 ' A' ' 84' ' ' ILE . 73.9 t -54.95 -62.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.3 ttpp -38.24 -58.08 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 94' ' ' ASN . 18.5 t-20 -58.15 -54.56 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.993 ' CE1' HD11 ' A' ' 104' ' ' ILE . 15.6 t-160 -44.9 -26.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.825 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.6 t-105 -64.23 -68.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.96 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.46 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.4 m-80 -69.23 -3.43 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.4 m -72.4 -80.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.09 -13.37 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.993 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.7 mt -90.29 30.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.461 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 4.9 t -132.03 -43.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 6.69 10.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 179.26 61.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.01 165.47 31.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 1.225 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.9 m0 -53.5 150.13 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' LYS . 43.9 p -133.7 -166.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -37.37 -60.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -41.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.617 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -51.33 -37.76 49.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 14.6 m-20 -64.06 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -60.74 -31.51 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 27.9 tttt -68.58 -46.16 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.963 HG13 HG13 ' A' ' 33' ' ' ILE . 2.1 t -49.1 -53.62 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.629 HD12 HG12 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -55.26 -33.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -20.33 63.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 32' ' ' LEU . 1.3 mt -83.72 -63.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.797 ' CG2' HD11 ' A' ' 33' ' ' ILE . 3.9 t -48.75 -24.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 -63.5 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -12.71 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.856 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.3 m-30 -94.72 -56.16 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.727 ' C ' HG22 ' A' ' 27' ' ' THR . . . 51.19 102.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.727 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.6 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.383 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' H ' HG23 ' A' ' 27' ' ' THR . 2.9 ttmt -179.82 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 33' ' ' ILE . 3.1 mt-30 40.39 42.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.734 ' HA ' HD13 ' A' ' 33' ' ' ILE . 28.6 m95 -64.64 -13.24 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -78.97 -42.42 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.856 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -54.04 -53.85 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.963 HG13 HG13 ' A' ' 18' ' ' VAL . 4.4 mp -38.79 -72.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 42' ' ' GLY . . . -60.18 -57.91 10.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -42.42 -27.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.714 ' C ' HD23 ' A' ' 37' ' ' LEU . 18.9 m80 -86.37 -52.94 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.225 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -102.22 98.72 8.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -106.29 -168.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.0 26.26 69.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER 170.92 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.271 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.502 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 32.7 93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.694 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -68.72 55.73 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -125.5 -138.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' LYS . 6.6 tm0? 34.42 35.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -113.05 -36.21 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -34.08 -40.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.2 60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.73 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.613 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.94 -15.43 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.03 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.15 -31.04 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 109.57 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.65 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 52.2 m95 -63.39 172.39 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 78.0 p -132.97 -158.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.7 mm-40 -77.76 -79.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -40.62 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 1.3 mm-40 -60.55 -37.63 81.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.2 t70 -62.29 -50.92 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.8 mmp_? -60.76 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.027 HG21 HD11 ' A' ' 88' ' ' LEU . 81.2 mt -36.77 -50.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.725 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -55.07 -65.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -47.67 -31.48 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.958 ' O ' HG23 ' A' ' 76' ' ' VAL . 7.6 mt-10 -70.03 -63.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.984 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -53.27 -27.31 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.723 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.1 t-80 -77.02 -23.38 52.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -97.37 12.02 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.0 t -118.72 -33.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -121.42 -76.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.723 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.45 -123.77 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 21.92 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.02 56.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 14.8 m95 -50.94 -33.97 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.997 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.06 71.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 87' ' ' LEU . 4.2 mm-40 -106.57 -9.65 16.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.758 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -82.09 -42.17 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -79.41 -32.68 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -70.66 -6.98 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.673 HD13 ' HB1' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -75.08 -9.86 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.027 HD11 HG21 ' A' ' 69' ' ' ILE . 11.5 mt -144.55 151.01 49.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 84.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . 141.8 152.44 5.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.65 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 1.7 mpp_? 75.2 137.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -99.71 -168.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.359 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -48.94 22.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -14.89 24.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB1' ' HG3' ' A' ' 91' ' ' ARG . . . -77.74 -65.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.758 HG11 ' CG2' ' A' ' 84' ' ' ILE . 57.6 t -60.55 -50.2 81.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.634 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 10.4 ttpp -40.85 -61.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.489 ' C ' ' HG ' ' A' ' 102' ' ' SER . 0.5 OUTLIER -58.3 -53.32 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 1.007 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.9 t60 -44.58 -27.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 3.1 t-105 -63.17 -69.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.473 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.7 m-80 -68.93 -4.08 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.3 m -72.03 -81.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 -13.8 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.007 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.6 mt -91.69 34.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 7' ' ' LYS . 6.5 t -113.76 -133.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.678 ' H ' HG12 ' A' ' 6' ' ' VAL . 3.8 mmmt 37.79 30.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 126.59 79.08 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.59 ' HE3' HD23 ' A' ' 37' ' ' LEU . 10.0 m95 -72.1 133.02 44.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 54.4 p -120.54 -163.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -61.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -44.07 -41.17 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 10' ' ' TRP . 2.0 mp0 -67.16 -43.84 81.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -61.51 -60.21 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -45.47 -25.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.759 ' HD3' HD11 ' A' ' 21' ' ' LEU . 1.2 tttm -64.15 -56.68 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.937 HG13 HG13 ' A' ' 33' ' ' ILE . 2.6 t -43.72 -53.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.782 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -56.7 -33.46 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LYS . 2.2 tt0 -82.82 -16.18 48.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.759 HD11 ' HD3' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -83.48 -45.84 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 18' ' ' VAL . 2.5 t -67.31 -33.83 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -36.14 71.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.69 -26.71 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.704 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 4.2 m-30 -84.69 -55.14 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.716 ' C ' HG22 ' A' ' 27' ' ' THR . . . 56.7 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.716 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.96 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.436 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.536 ' H ' HG23 ' A' ' 27' ' ' THR . 0.2 OUTLIER 177.12 -80.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 33' ' ' ILE . 5.8 mt-30 40.28 49.04 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.649 ' HA ' HD13 ' A' ' 33' ' ' ILE . 24.6 m95 -68.88 -8.74 46.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.04 -37.92 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.78 -55.71 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.937 HG13 HG13 ' A' ' 18' ' ' VAL . 4.4 mp -39.34 -60.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 36' ' ' HIS . . . -63.46 -64.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -25.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.613 ' N ' ' O ' ' A' ' 32' ' ' LEU . 24.6 m80 -87.32 -56.86 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.621 ' CD1' HG21 ' A' ' 18' ' ' VAL . 3.9 mt -107.99 121.67 45.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 81.74 118.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.26 -16.27 26.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -98.68 -160.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 3.3 mm? -64.93 -12.98 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.63 -122.08 3.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -167.17 46.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 83.39 47.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.339 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -58.27 179.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 73.59 -58.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.62 77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER 178.13 -53.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.782 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -125.5 0.81 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.035 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' A' ' 46' ' ' ARG . 45.7 t-80 -102.0 -76.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.648 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.561 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 69.0 m95 -61.86 175.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 108.044 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 p -121.37 -157.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASP . 6.2 mm-40 -81.52 -80.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.84 -32.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.618 ' OE1' HD22 ' A' ' 88' ' ' LEU . 2.5 mt-10 -66.27 -39.48 89.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -67.99 -48.72 64.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -58.31 -62.03 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' ALA . 77.6 mt -37.62 -69.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.946 HD13 HG13 ' A' ' 96' ' ' VAL . 38.9 mt -48.42 -49.55 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -61.27 -14.79 29.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mm-40 -125.63 19.18 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.755 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -116.76 -26.79 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.92 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 12.3 t-80 -78.32 -19.74 52.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 18.01 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 3.3 t -126.82 -40.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -109.79 -76.8 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.715 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 165.8 -139.93 6.07 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.44 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.0 17.24 15.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HD3' ' CB ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.63 55.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.92 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.7 m95 -46.71 -34.34 5.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.032 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.83 -16.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 81' ' ' TRP . 27.7 mm-40 -109.53 -44.22 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.045 HG21 HG11 ' A' ' 96' ' ' VAL . 3.4 mm -44.26 -45.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -68.31 -44.92 74.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -45.98 -31.91 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.59 -39.35 52.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 84' ' ' ILE . 1.5 mp -108.14 102.01 44.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.41 7.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.48 -27.49 2.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.712 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 31.1 mmt180 -119.43 154.81 33.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.408 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 24.1 p -95.56 -170.22 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -73.68 -47.6 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -14.08 38.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.712 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -77.78 -68.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.045 HG11 HG21 ' A' ' 84' ' ' ILE . 58.2 t -55.36 -50.51 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.7 ttpp -42.33 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.19 -50.58 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.588 ' HA ' ' CB ' ' A' ' 102' ' ' SER . 23.7 t60 -44.54 -29.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 1.187 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.4 t-105 -59.23 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.478 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 67.9 m-80 -73.34 -3.78 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.588 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 12.6 t -73.69 -76.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -116.87 -12.91 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.187 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 4.0 mm -89.57 28.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 1.7 mmtm . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.434 ' C ' ' H ' ' A' ' 8' ' ' GLY . 24.6 t -118.85 -25.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -79.49 15.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . -178.19 64.45 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 10.4 m95 -65.17 158.5 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.4 p -152.86 165.41 35.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 5.1 ttmt -37.54 -35.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.642 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -53.92 -46.92 71.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.703 ' HB2' HD13 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -54.79 -42.84 72.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.511 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.5 m-20 -75.19 -72.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.642 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -35.74 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' ASP . 6.2 ttmt -74.35 -73.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.939 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.7 t -42.29 -35.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -65.93 -48.15 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . 3.5 tt0 -64.97 -25.32 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD13 ' CD2' ' A' ' 32' ' ' LEU . 1.1 mt -76.89 -56.2 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 18' ' ' VAL . 16.7 t -55.82 -19.82 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -46.06 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -14.18 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.597 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -97.82 -56.87 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 19.68 94.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -165.86 -55.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.423 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.4 mttt 166.26 -10.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.482 ' H ' HG23 ' A' ' 27' ' ' THR . 30.9 mt-30 -69.38 82.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.674 ' HA ' HD13 ' A' ' 33' ' ' ILE . 25.2 m95 -89.46 2.21 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 108.024 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -74.33 -46.49 40.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -52.15 -23.97 6.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.903 HG13 HG13 ' A' ' 18' ' ' VAL . 2.5 mp -73.41 -46.24 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.61 21.31 11.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 31' ' ' THR . 20.8 ttpt -118.66 -33.6 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.708 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -84.08 -3.98 58.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -147.8 115.79 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 143.87 44.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.06 4.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.68 179.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.86 179.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.85 -112.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -172.18 80.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER 40.49 92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.469 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 14.9 p -80.35 160.13 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 36.58 79.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -177.03 42.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.32 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.52 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -113.57 -20.16 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.026 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -90.0 -43.11 10.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.613 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 46.9 m95 -62.82 173.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.032 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.8 p -135.31 -161.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.5 mm-40 -74.75 -77.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.44 -42.1 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.2 mt-10 -60.8 -34.14 74.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.8 t70 -63.06 -56.34 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.2 mtp85 -56.88 -58.08 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.469 HG21 HD21 ' A' ' 88' ' ' LEU . 93.7 mt -38.64 -53.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.622 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -53.81 -70.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -46.51 -23.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -76.79 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.989 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -57.79 -26.45 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.708 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.2 t-80 -77.14 -16.92 58.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 12.8 36.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.1 t -121.9 -40.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.989 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -113.3 -76.32 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.708 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 156.16 -120.07 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.167 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.2 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.03 57.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -51.88 -33.53 37.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.423 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -62.6 -28.69 70.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -108.87 -9.66 15.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.687 HG21 HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -81.41 -43.48 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -73.03 -38.26 66.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 82' ' ' ALA . 21.9 mtmt -65.15 70.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 88' ' ' LEU . 2.9 mt -153.64 -44.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.68 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -119.03 162.38 31.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 87.93 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 91' ' ' ARG . . . 149.26 142.22 3.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.756 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 16.1 mmt180 78.08 152.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.473 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 12.5 p -117.63 -51.89 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -173.49 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -19.98 64.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 91' ' ' ARG . . . -67.05 -63.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.687 HG11 HG21 ' A' ' 84' ' ' ILE . 59.1 t -61.13 -51.96 67.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.621 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -56.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.88 -54.28 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.986 ' CE1' HD11 ' A' ' 104' ' ' ILE . 17.0 t-160 -45.92 -25.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.827 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.0 t-105 -64.29 -68.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.458 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.8 m-80 -68.79 -3.46 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 67.1 m -72.97 -80.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.31 -13.44 7.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.986 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.3 mt -90.73 30.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.8 mmmm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.8 t -95.05 -14.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 11.5 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.37 66.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.55 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 1.294 ' CE3' HD22 ' A' ' 37' ' ' LEU . 9.3 m0 -64.26 132.26 49.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -109.17 -164.12 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' GLN . 2.1 tttp -43.71 -58.99 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -42.75 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.642 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -50.33 -38.38 41.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.38 -29.21 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.582 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -63.92 -31.13 72.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 14.2 tttt -66.44 -47.53 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.062 HG23 HD21 ' A' ' 37' ' ' LEU . 1.8 t -56.71 -46.7 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.688 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -53.1 -35.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.85 -24.27 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 32' ' ' LEU . 1.7 mt -80.91 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.022 ' CG2' HD11 ' A' ' 33' ' ' ILE . 42.0 t -52.15 -23.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.86 -23.36 67.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.663 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.6 -59.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 37.5 102.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 173.76 -65.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.78 . . . . 0.0 110.409 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.688 ' H ' HG23 ' A' ' 27' ' ' THR . 8.2 mttt 166.73 41.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -104.39 83.16 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.749 ' CE3' HD13 ' A' ' 33' ' ' ILE . 25.7 m95 -94.58 -2.79 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.01 -44.55 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -49.96 -50.18 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.022 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.9 mp -53.58 -61.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.854 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -61.65 -17.08 53.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.7 ttmm -101.74 0.56 36.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.788 ' C ' HD23 ' A' ' 37' ' ' LEU . 5.3 m80 -113.82 -48.64 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.294 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -99.98 95.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -170.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.5 18.92 16.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -159.81 146.08 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 mm? -71.58 -179.86 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.854 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -126.48 -1.12 7.22 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -70.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.31 52.67 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -90.2 -9.71 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.604 ' HB3' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -113.87 -164.15 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 tt0 83.79 52.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -161.03 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.688 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -90.37 -12.81 36.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.014 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -42.4 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 72.1 m95 -63.55 176.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.48 -166.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.4 mm-40 -74.52 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -44.9 -37.52 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.86 ' OE2' HD13 ' A' ' 88' ' ' LEU . 12.7 mt-10 -61.17 -35.0 75.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.6 t70 -70.12 -54.59 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -56.58 17.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 73.9 mt -41.77 -71.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.894 HD13 HG13 ' A' ' 96' ' ' VAL . 32.9 mt -45.76 -51.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.505 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -54.78 -15.16 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -106.73 -50.52 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -49.04 -39.37 27.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.851 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 8.1 t-80 -62.22 -14.53 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -106.58 25.83 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.2 t -137.18 -43.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.802 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -99.64 -74.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 126.62 98.46 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.491 ' H ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 43.8 22.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.495 ' CD ' ' HB3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -78.53 50.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.851 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.0 m95 -48.38 -37.76 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -22.67 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.802 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -106.96 -39.52 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.952 HG21 HG11 ' A' ' 96' ' ' VAL . 5.3 mm -47.18 -49.67 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -62.99 -40.5 97.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.43 60.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 87' ' ' LEU . 11.2 mt -152.32 -41.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.86 HD13 ' OE2' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -94.0 163.19 24.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -147.08 -150.24 5.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.449 ' HD2' ' CZ3' ' A' ' 62' ' ' TRP . 67.4 mmt-85 54.4 166.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.567 ' H ' ' HB3' ' A' ' 95' ' ' ALA . 2.1 p -144.47 176.94 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -61.19 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -32.15 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HB3' ' H ' ' A' ' 92' ' ' THR . . . -67.14 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.952 HG11 HG21 ' A' ' 84' ' ' ILE . 61.6 t -54.84 -61.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 11.2 ttpp -36.91 -61.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.414 ' C ' ' HG ' ' A' ' 102' ' ' SER . 0.5 OUTLIER -60.19 -54.96 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.602 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 22.8 t60 -44.12 -28.1 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 1.092 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 16.5 t-105 -61.33 -67.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.9 m-80 -72.46 -3.77 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.572 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 51.5 m -72.86 -80.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -114.11 -14.12 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.092 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 3.2 mm -88.36 29.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 1.6 mmtt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.591 ' C ' ' H ' ' A' ' 8' ' ' GLY . 41.3 t -100.33 -29.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.71 24.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.591 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.12 73.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.12 5.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.574 1.829 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.676 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m95 -77.68 174.87 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 25.6 p -152.17 -162.91 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.9 tttt -63.74 -51.08 66.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -41.34 -38.55 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' OE2' ' CZ3' ' A' ' 10' ' ' TRP . 0.8 OUTLIER -73.17 -51.15 18.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.64 ' HA ' HD11 ' A' ' 37' ' ' LEU . 19.9 m-20 -59.89 -59.45 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.528 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -41.9 -37.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.9 tttm -54.11 -49.0 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.963 HG13 HG13 ' A' ' 33' ' ' ILE . 2.4 t -55.32 -47.92 77.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.558 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -60.39 -35.93 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -80.35 -20.99 42.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -78.27 -45.31 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG22 HD11 ' A' ' 33' ' ' ILE . 22.4 t -68.17 -27.95 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -71.38 -36.18 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -84.32 -27.14 27.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.815 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.48 -57.2 3.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.531 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.74 97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.562 1.164 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.624 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -178.06 -61.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.371 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.624 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 173.01 40.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.653 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -109.48 94.82 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.849 ' HA ' HD13 ' A' ' 33' ' ' ILE . 29.6 m95 -106.96 -4.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -77.93 -41.7 35.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.815 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -53.15 -49.5 66.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.963 HG13 HG13 ' A' ' 18' ' ' VAL . 4.3 mp -42.13 -46.2 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.67 -23.96 27.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.52 -41.57 46.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.742 ' N ' ' O ' ' A' ' 32' ' ' LEU . 47.9 m80 -85.0 10.82 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.798 HD12 HG21 ' A' ' 18' ' ' VAL . 90.0 mt -156.01 103.83 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.28 -158.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.06 -53.47 2.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -179.88 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.42 160.6 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -41.75 154.03 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 9.0 tptm -65.15 80.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' CYS . 23.8 mt-30 56.91 67.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLN . 3.5 t -39.95 110.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 73.23 101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 0.6 OUTLIER 175.32 138.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER 85.03 -9.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.604 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -143.34 -81.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.99 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TRP . 27.4 t-80 -37.93 -45.53 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.679 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.609 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 50.0 m95 -62.66 172.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -132.62 -157.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.1 mt-10 -79.72 -79.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -44.42 -35.04 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.475 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.9 mt-10 -65.78 -40.31 91.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.7 t70 -60.52 -52.65 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mmp_? -55.19 -61.52 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.628 ' HB ' HD21 ' A' ' 88' ' ' LEU . 75.7 mt -39.03 -46.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -59.04 -68.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -46.41 -25.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 1.019 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.5 mt-10 -77.69 -70.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.732 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -49.22 -22.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.76 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.3 t-80 -72.37 -42.33 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -84.51 6.79 22.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.4 t -112.68 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -130.64 -50.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.622 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 127.73 -68.35 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -148.89 20.27 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 77' ' ' LEU . 3.4 mpt_? -70.19 59.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.76 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.6 m95 -52.03 -36.96 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.24 42.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.487 ' HB2' HD13 ' A' ' 77' ' ' LEU . 27.0 mm-40 -105.74 -34.4 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.978 HG21 HG11 ' A' ' 96' ' ' VAL . 10.1 mm -50.48 -48.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -62.59 -43.6 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -49.25 -25.71 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.732 HD13 ' CB ' ' A' ' 73' ' ' ALA . 1.4 mt -86.61 -33.27 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 84' ' ' ILE . 3.4 mp -106.27 105.87 55.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.91 2.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.791 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.45 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.603 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER 171.63 -175.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.909 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 40.5 p -134.02 -140.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.46 -29.97 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.564 ' HB1' ' HG2' ' A' ' 91' ' ' ARG . . . -71.08 -67.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.978 HG11 HG21 ' A' ' 84' ' ' ILE . 85.4 t -54.28 -60.26 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.587 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.5 ttpp -37.25 -58.64 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' TRP . 0.6 OUTLIER -58.51 -53.25 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 1.01 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.9 t60 -45.05 -25.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.1 t-105 -64.47 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.1 m-80 -70.98 -2.72 16.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.9 m -73.07 -81.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -121.64 -13.22 8.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.01 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.8 mt -90.84 32.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 1.8 mmmm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.45 ' C ' ' HB3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 7' ' ' LYS . 1.1 t -132.97 -153.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.45 27.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 105.09 72.22 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HB3' ' C ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -75.0 -157.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.761 ' C ' HG23 ' A' ' 11' ' ' THR . 11.5 m0 -78.61 -74.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.761 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.1 p 69.38 -153.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.1 ttpm? -73.94 -34.32 64.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.78 -62.34 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.781 ' CG ' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -50.23 -40.23 46.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.631 ' O ' HD13 ' A' ' 19' ' ' ILE . 5.0 m-20 -65.25 -23.15 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -83.77 -26.18 29.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.534 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 6.6 tttt -85.95 -45.78 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.7 HG21 HG23 ' A' ' 33' ' ' ILE . 2.3 t -64.25 -28.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.646 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -71.65 -54.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -34.78 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.683 HD11 ' CD2' ' A' ' 36' ' ' HIS . 51.4 mt -65.13 -58.06 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.644 ' CG2' HD11 ' A' ' 33' ' ' ILE . 78.4 t -61.19 -16.74 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -24.32 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -22.76 15.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.924 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -89.77 -53.51 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.91 ' O ' HG23 ' A' ' 27' ' ' THR . . . 147.12 -106.03 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -175.53 55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 110.366 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -151.56 -44.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -74.08 83.21 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.709 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.9 m95 -72.31 -6.42 43.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -65.42 -43.65 89.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.924 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -51.83 -18.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.709 HD13 ' HA ' ' A' ' 30' ' ' TRP . 4.1 mp -87.15 -48.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.53 30.01 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HB2' HG23 ' A' ' 31' ' ' THR . 10.4 tttp -123.21 -37.8 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.701 ' C ' HD22 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -82.66 -11.98 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.781 HD11 ' CG ' ' A' ' 14' ' ' GLU . 1.7 mm? -116.22 -177.81 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.54 ' CD ' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -151.37 32.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.02 62.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.489 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 76.23 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.68 93.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 10' ' ' TRP . . . -31.68 105.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -40.32 104.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.67 91.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 15.4 p -98.01 125.02 42.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 46' ' ' ARG . 27.5 mtm105 55.87 93.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.53 -41.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -86.03 -27.09 25.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -105.33 -54.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.78 -45.7 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.5 m120 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.613 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 95.0 m95 -62.75 -178.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.22 -167.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.1 mm-40 -77.64 -77.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.94 -33.59 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.797 ' HG2' HD22 ' A' ' 88' ' ' LEU . 3.5 mt-10 -64.15 -36.33 83.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -71.29 -51.73 22.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 49.7 mtp180 -60.26 -62.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.027 HD12 HD21 ' A' ' 88' ' ' LEU . 45.5 mt -39.26 -71.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.939 HD13 HG13 ' A' ' 96' ' ' VAL . 45.7 mt -48.01 -48.31 12.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 49.6 t80 -59.96 -13.83 13.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 16.4 pt-20 -132.82 22.53 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -119.15 -14.33 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.764 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.6 t-80 -81.82 -33.52 30.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 11.02 17.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.6 t -112.83 -25.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CB ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -132.21 -75.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.732 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 161.37 -141.43 7.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -91.56 20.22 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.477 ' HD2' ' CB ' ' A' ' 77' ' ' LEU . 3.8 ptp180 -72.36 48.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.764 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.0 m95 -40.22 -34.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 80' ' ' ARG . . . -46.15 -24.12 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' LYS . 21.9 mm-40 -116.61 -45.22 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.951 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -43.66 -27.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -86.23 -44.38 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' GLU . 15.5 mttt -63.9 72.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.0 mt -153.65 -43.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.027 HD21 HD12 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -120.58 149.74 50.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.98 98.94 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.42 141.94 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.0 mmt180 67.0 135.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -102.95 -152.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -72.99 -48.59 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -14.53 37.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -83.7 -68.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.951 HG11 ' CG2' ' A' ' 84' ' ' ILE . 98.2 t -54.48 -49.03 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.627 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -38.63 -61.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 102' ' ' SER . 3.9 t-20 -62.92 -39.13 93.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.613 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 1.9 t60 -49.6 -21.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.533 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -70.32 -51.29 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.033 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 61.5 m-80 -88.5 -4.86 58.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 98' ' ' ASN . 3.6 t -73.4 -73.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.6 m -135.59 -7.85 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.533 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.1 mm -99.22 35.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.93 HD13 ' C ' ' A' ' 38' ' ' LYS . 1.2 mp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.577 HG12 ' N ' ' A' ' 7' ' ' LYS . 92.5 t -69.98 -103.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.577 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -82.44 35.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.7 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.17 47.68 8.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.7 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.96 111.73 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.786 ' C ' HG23 ' A' ' 11' ' ' THR . 10.8 m0 -116.94 -62.86 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.786 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.2 p 71.33 177.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -63.59 -16.08 59.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.9 tt0 -67.84 -52.31 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.566 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -53.05 -46.02 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.931 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.577 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -64.6 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 6.0 pt20 -38.15 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.704 ' C ' HD12 ' A' ' 21' ' ' LEU . 24.3 mttt -68.69 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 33' ' ' ILE . 26.2 t -42.08 -36.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -62.68 -80.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.557 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.8 mt-10 -44.33 -45.0 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.081 HD13 HD13 ' A' ' 32' ' ' LEU . 13.9 mt -54.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.842 HG11 ' CE2' ' A' ' 49' ' ' TRP . 4.4 t -48.68 -21.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -74.0 -38.38 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -101.27 -2.07 32.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.905 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.2 m-85 -109.9 -54.06 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.907 ' O ' HG23 ' A' ' 27' ' ' THR . . . 109.37 -91.85 0.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.907 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.21 37.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 -10.51 12.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -127.53 62.27 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.645 ' CH2' ' HA ' ' A' ' 46' ' ' ARG . 79.7 m95 -57.57 -18.74 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.26 -39.29 66.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.943 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.081 HD13 HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.1 -49.77 68.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.831 HD12 ' HG ' ' A' ' 32' ' ' LEU . 4.1 mp -58.59 -43.4 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.76 7.8 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' THR . 4.0 tttp -113.04 -42.11 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.725 ' ND1' HD11 ' A' ' 21' ' ' LEU . 7.8 m170 -83.31 -26.81 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.733 HD11 HG21 ' A' ' 18' ' ' VAL . 10.5 mt -105.4 61.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.93 ' C ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -55.91 -162.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.57 ' N ' HD13 ' A' ' 5' ' ' LEU . . . 100.88 13.3 34.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.586 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 tmm_? 88.28 126.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 35.18 99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -30.38 92.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . 4.9 tmtt? -39.3 107.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 71.62 82.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 120.23 39.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.645 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 5.8 mtt-85 69.73 81.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.1 -75.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -20.07 58.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.842 ' CE2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.45 20.45 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 46' ' ' ARG . 22.7 t-80 -134.56 -123.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 47.7 m95 -61.98 173.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -129.89 -162.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.9 mm-40 -75.12 -77.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -44.01 -41.57 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.1 mt-10 -60.81 -38.1 84.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -58.65 -52.04 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' ILE . 7.2 mtp180 -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' ARG . 73.9 mt -36.23 -53.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -52.65 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -48.58 -24.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 1.014 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -78.14 -71.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.755 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -44.42 -25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 20.8 t-80 -64.48 -52.48 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 1.45 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.014 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.9 t -104.32 -16.44 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -133.04 -71.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.26 100.91 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.557 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 39.16 28.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.609 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mpt_? -78.72 52.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.4 m95 -51.73 -38.11 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -17.69 36.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.3 mm-40 -109.56 -37.82 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.87 HG21 HG11 ' A' ' 96' ' ' VAL . 4.0 mm -50.23 -46.42 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.745 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -68.71 -52.55 29.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -45.18 -26.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.8 -45.34 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -94.76 117.76 66.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.797 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.37 57.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.745 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.4 OUTLIER 172.15 151.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 p -112.07 -172.12 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -76.71 -41.17 46.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -61.79 -20.36 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.483 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -79.76 -65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.87 HG11 HG21 ' A' ' 84' ' ' ILE . 99.1 t -54.68 -60.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.2 ttpp -39.79 -53.71 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 15.6 t-20 -61.52 -48.51 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.868 ' NE2' HD11 ' A' ' 104' ' ' ILE . 2.7 t60 -52.68 -27.0 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.541 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.1 t-105 -65.44 -50.17 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.463 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 62.7 m-80 -87.55 2.11 51.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 41.0 t -75.48 -80.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -126.92 -8.19 6.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.868 HD11 ' NE2' ' A' ' 99' ' ' HIS . 9.9 mt -100.48 40.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.494 ' CD ' ' H ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.595 HG12 ' H ' ' A' ' 7' ' ' LYS . 4.5 t -117.99 -133.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.595 ' H ' HG12 ' A' ' 6' ' ' VAL . 20.2 mmmt 38.21 31.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.65 79.06 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.84 27.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.995 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.6 m95 -91.06 130.76 36.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.527 ' CA ' ' OE1' ' A' ' 14' ' ' GLU . 74.1 p -127.07 -158.35 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -38.99 -61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -43.9 -33.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.734 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.674 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -66.02 -34.34 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -59.21 -28.25 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.54 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 tttt -73.51 -46.59 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.86 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -55.1 -26.23 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.633 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -73.16 -56.48 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.02 -22.23 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.731 ' HB3' HD13 ' A' ' 32' ' ' LEU . 25.5 mt -67.75 -56.69 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' VAL . 24.9 t -61.86 -20.48 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.87 -34.08 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.76 -25.68 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.748 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -88.14 -52.98 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 27' ' ' THR . . . 144.15 -100.6 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -176.0 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.396 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 21.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 59.8 mt-30 -124.63 56.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 26.7 m95 -51.52 -22.44 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.601 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -62.89 -42.68 99.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.951 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -52.11 -19.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.86 HG13 HG13 ' A' ' 18' ' ' VAL . 4.3 mp -90.69 -50.33 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -88.46 16.22 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -116.91 -38.25 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.712 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 1.2 m80 -84.59 -41.93 15.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.995 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -91.73 64.81 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -67.37 89.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 159.31 42.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.04 -172.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.04 -2.12 42.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 33' ' ' ILE . . . 46.08 26.36 2.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -98.99 -141.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 43' ' ' LYS . 51.5 tt0 33.25 91.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.602 ' SG ' HG21 ' A' ' 33' ' ' ILE . 88.3 m -150.53 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 108.275 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.621 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 69.2 mtp85 -57.13 80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' CYS . 24.7 tt0 -155.91 -43.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -34.65 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.633 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -112.89 -11.23 13.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 51' ' ' ASN . 9.7 t-160 -76.89 -113.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' N ' ' CD2' ' A' ' 50' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.608 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 56.3 m95 -63.08 175.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.6 p -138.43 -157.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.9 mm-40 -81.03 -79.94 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.56 -31.15 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 11.7 mt-10 -67.74 -38.11 83.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.6 t0 -63.92 -51.35 64.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.7 mtp180 -56.19 -61.46 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' ARG . 69.7 mt -36.99 -43.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.499 HD13 ' CG2' ' A' ' 84' ' ' ILE . 1.1 mm -61.66 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.5 t80 -47.71 -22.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 1.032 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -80.73 -70.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.928 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -47.41 -24.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.789 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 21.2 t-80 -70.22 -43.17 71.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.3 pttt -85.55 8.32 19.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 72' ' ' GLU . 5.1 t -111.91 -20.6 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.928 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -130.4 -74.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 134.76 104.85 0.82 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.535 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.1 OUTLIER 39.42 28.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.62 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mpt_? -78.22 53.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.789 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -52.01 -37.44 53.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.985 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.09 36.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.0 mm-40 -112.74 -27.19 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.853 HD13 ' HB3' ' A' ' 73' ' ' ALA . 3.4 mm -62.98 -45.7 98.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -71.86 -37.43 70.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 24.1 mmtt -39.18 -31.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -78.56 -51.6 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 88' ' ' LEU . 1.6 mm? -101.93 112.2 65.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.56 10.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.95 7.1 13.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.596 ' CG ' ' CH2' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -116.44 -11.03 11.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.694 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 37.1 p 45.19 -91.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -159.64 -44.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' ASN . 1.1 p30 -59.03 -26.75 64.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -64.08 -64.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 84' ' ' ILE . 61.8 t -61.51 -59.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.7 ttpp -40.21 -60.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 19.0 t-20 -59.28 -57.2 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 1.034 ' CE1' HD11 ' A' ' 104' ' ' ILE . 12.1 t-160 -44.42 -27.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.822 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 6.1 t-105 -63.03 -69.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.6 m-80 -69.81 -3.11 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.0 m -72.23 -81.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -118.73 -13.6 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.034 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.7 mt -91.96 35.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 10.9 mmtt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.467 ' C ' ' HB3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.48 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -139.05 -63.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 2.43 11.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 172.92 61.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.04 157.67 42.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.794 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 9.9 m0 -55.73 170.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 11.6 p -151.51 -165.02 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLN . 38.6 ttpt -52.9 -34.26 54.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.586 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -47.59 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.576 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 23.8 mp0 -52.04 -38.87 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HA ' HD11 ' A' ' 37' ' ' LEU . 68.0 m-20 -64.81 -26.04 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.594 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 1.3 pp0? -64.84 -34.01 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.594 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.4 tttt -69.28 -40.85 77.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.939 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -56.93 -35.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.04 HG23 ' CZ2' ' A' ' 49' ' ' TRP . 2.8 mm -67.78 -38.67 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -21.51 64.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.855 HD13 HD13 ' A' ' 32' ' ' LEU . 3.9 mt -81.76 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.961 ' CG2' HD11 ' A' ' 33' ' ' ILE . 96.3 t -50.01 -22.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.5 mttp -71.8 -61.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.29 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.699 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -85.17 -61.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.06 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 179.88 -66.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.414 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.668 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 174.41 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -114.28 98.7 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.733 ' HA ' HD13 ' A' ' 33' ' ' ILE . 53.2 m95 -111.32 -11.04 14.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -68.5 -38.45 80.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.855 HD13 HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -54.44 -54.81 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.961 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.8 mp -40.91 -74.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.9 -59.01 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -46.85 -27.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.639 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.0 m80 -84.52 -67.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.794 HD22 ' HZ3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -88.85 96.68 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.94 36.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.23 -8.07 45.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.22 158.81 19.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.58 149.9 45.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.37 50.54 4.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -95.59 -58.61 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.58 59.05 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 42.9 m -113.55 -172.32 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 35.02 61.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 1.3 mt-10 -154.7 120.23 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER 80.34 -3.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 1.04 ' CZ2' HG23 ' A' ' 19' ' ' ILE . 3.6 t90 -132.77 -47.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' A' ' 51' ' ' ASN . 7.8 t-80 -72.86 -90.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.487 ' N ' ' ND1' ' A' ' 50' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 94.6 m95 -91.97 -179.82 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -128.14 -165.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -80.69 -79.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.16 -27.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CD ' HD13 ' A' ' 88' ' ' LEU . 1.9 mm-40 -66.79 -39.87 87.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -69.46 -46.75 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mtp180 -58.9 -62.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.686 HD12 HD21 ' A' ' 88' ' ' LEU . 95.8 mt -38.81 -71.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.642 HG21 HG13 ' A' ' 96' ' ' VAL . 15.0 mt -48.55 -49.78 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 54.2 t80 -58.73 -15.17 10.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -106.06 -13.12 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.791 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -92.17 -22.11 20.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.737 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.9 t-80 -74.57 -14.81 60.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -101.86 12.06 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.4 t -115.1 -34.37 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -125.02 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.737 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.4 -121.15 1.09 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 22.07 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 54.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.673 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -48.94 -35.48 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.18 48.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LYS . 7.6 mm-40 -104.16 -41.91 5.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.885 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -46.98 -42.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -70.99 -31.08 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' GLU . 19.9 mttt -66.45 67.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 4.3 mt -153.77 -44.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.686 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -114.6 127.77 26.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 102.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.459 ' O ' ' NE ' ' A' ' 91' ' ' ARG . . . 136.24 55.95 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.734 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 4.9 tpp180 174.15 168.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -133.82 -167.78 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -28.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.508 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.23 -67.41 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.885 HG11 ' CG2' ' A' ' 84' ' ' ILE . 67.2 t -57.44 -54.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.604 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.6 ttpp -37.66 -64.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.4 -49.88 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 1.056 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.8 t60 -46.91 -25.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.854 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.8 t-105 -64.55 -69.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.5 m-80 -67.26 -4.51 10.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.46 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.7 m -72.06 -80.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.07 -13.96 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.056 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.3 mt -90.76 31.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 5.9 mmmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.015 HD13 ' HD2' ' A' ' 40' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' A' ' 8' ' ' GLY . 77.6 t -114.93 -24.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.96 10.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 176.37 71.67 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 163.96 34.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.77 ' C ' HG23 ' A' ' 11' ' ' THR . 11.0 m0 -110.84 -31.54 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.0 OUTLIER 69.23 -161.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.7 tttm -81.83 -28.05 33.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -45.68 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 10' ' ' TRP . 7.8 mm-40 -49.65 -39.6 36.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 19.3 m-20 -62.35 -31.05 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -62.86 -31.2 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.562 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 12.0 tttm -65.34 -49.51 69.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.901 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.5 t -50.17 -38.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.525 HD13 HG12 ' A' ' 18' ' ' VAL . 3.6 mm -58.24 -47.83 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.22 -43.99 72.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 32' ' ' LEU . 2.9 mt -54.26 -46.08 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 18' ' ' VAL . 80.7 t -51.65 -60.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -14.98 9.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -86.27 -45.25 11.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.836 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.63 -51.57 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.844 ' O ' HG23 ' A' ' 27' ' ' THR . . . 154.45 -126.55 1.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 26' ' ' GLY . 1.1 p -164.66 62.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.37 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -120.08 -62.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.5 m95 67.39 9.9 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.035 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.587 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -95.57 -52.48 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.836 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.45 -17.7 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.872 HG13 HG13 ' A' ' 18' ' ' VAL . 5.2 mp -91.3 -57.37 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.72 9.3 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.1 ttpp -116.94 -36.0 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.636 ' CD2' HD13 ' A' ' 21' ' ' LEU . 2.3 m80 -84.84 -39.18 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD11 ' CG2' ' A' ' 18' ' ' VAL . 1.6 mt -110.31 107.37 17.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -152.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.0 -49.52 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 1.015 ' HD2' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.65 -174.51 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.03 -179.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' LEU . . . -45.27 171.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.2 tptp -97.03 47.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' LYS . 16.8 tt0 34.91 35.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.1 m -41.44 -39.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -44.51 -62.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' CB ' ' HG2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -62.72 73.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ARG . 8.5 tpp85 -177.69 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.539 ' CZ2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.25 -20.49 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 107.991 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 5.5 m170 -90.56 -26.76 19.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.992 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 65.1 m95 -62.4 174.84 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.56 -166.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.2 mm-40 -72.58 -79.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -37.08 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG2' HD22 ' A' ' 88' ' ' LEU . 2.0 mt-10 -62.15 -37.13 84.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.1 t70 -69.0 -52.63 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -55.61 -59.38 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.2 mt -39.93 -72.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.625 HG21 HG13 ' A' ' 96' ' ' VAL . 30.7 mt -45.04 -55.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -48.48 -20.67 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -97.92 -46.31 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -55.03 -21.33 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.783 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.0 t-80 -77.52 -14.13 59.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -100.76 9.71 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -110.86 -30.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.81 HD22 ' HD2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -133.09 -71.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.783 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 150.37 -118.19 0.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.96 21.12 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.81 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -73.3 52.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.692 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 10.8 m95 -48.73 -37.31 18.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.37 -28.14 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.8 mm-40 -107.83 -43.91 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.848 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -44.98 -43.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -69.84 -37.13 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.6 mttm -65.38 70.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.7 mt -153.77 -43.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.424 HD22 ' HG2' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -126.76 133.19 24.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.1 Cg_endo -75.03 127.39 10.62 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.43 -52.01 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.9 mmt180 -93.66 166.28 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.449 ' H ' ' HB3' ' A' ' 95' ' ' ALA . 25.1 p -129.52 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -69.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.23 -29.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' A' ' 92' ' ' THR . . . -64.89 -62.32 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.848 HG11 ' CG2' ' A' ' 84' ' ' ILE . 61.3 t -59.89 -54.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.619 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -35.92 -65.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -57.24 -53.84 53.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.68 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 12.7 t60 -44.54 -28.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.561 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 1.053 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 13.1 t-105 -60.58 -68.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.4 m-80 -71.19 -4.71 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.569 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.0 t -70.8 -78.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.18 -14.09 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.053 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.4 mm -88.35 31.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 2.9 mmtt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 6' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.1 t -168.39 169.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.584 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -69.4 42.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 141.72 71.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.2 Cg_endo -75.02 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.575 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 11.3 m0 -56.92 175.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 9.5 p -152.31 -166.91 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.8 ttpp -47.16 -30.08 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -54.14 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 49.4 mm-40 -49.06 -38.01 22.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -65.06 -32.15 73.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.47 -27.34 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.49 -54.56 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.893 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -46.77 -42.66 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.586 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -63.11 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.39 -16.55 61.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.903 HD13 HD13 ' A' ' 32' ' ' LEU . 3.7 mt -84.6 -61.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 18' ' ' VAL . 6.5 t -56.26 -20.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -59.6 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -20.96 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.68 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.0 m-30 -85.81 -60.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 31.14 92.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.626 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -175.17 -61.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.626 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 173.42 57.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -121.91 99.14 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.796 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.2 m95 -116.16 -6.96 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -39.92 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.903 HD13 HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.66 -53.38 55.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.893 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -38.62 -70.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.61 -60.04 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -29.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.64 ' N ' ' O ' ' A' ' 32' ' ' LEU . 21.0 m80 -84.92 -62.68 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.606 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -96.99 92.22 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.538 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.14 36.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.24 -15.11 8.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -137.88 55.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 33.39 -101.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.01 41.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -54.35 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.45 54.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 47' ' ' GLU . 4.3 t -143.04 -42.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.586 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 mtm105 -64.32 65.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 45' ' ' CYS . 19.9 tt0 -145.19 15.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.01 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.586 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -92.45 -16.05 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -35.43 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.566 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.953 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.635 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 61.7 m95 -63.05 175.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.414 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 14.9 p -132.1 -164.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASP . 12.6 mm-40 -74.1 -79.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -41.58 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 33.6 mt-10 -59.79 -36.33 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t70 -60.38 -53.86 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' ILE . 3.4 mtp180 -61.14 -57.25 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 90.6 mt -36.02 -39.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -66.56 -70.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -48.53 -20.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -83.2 -65.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.937 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.4 -20.96 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.724 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 19.6 t-80 -76.5 -14.31 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.646 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.84 13.43 32.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.2 t -117.82 -37.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.937 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -119.96 -69.36 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.724 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 145.93 -113.24 0.67 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.05 20.27 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.935 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.58 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.1 m95 -51.84 -37.03 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.41 -25.31 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.48 ' HB2' ' CD ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -99.39 -40.44 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.954 HG21 HG11 ' A' ' 96' ' ' VAL . 3.6 mm -47.89 -44.03 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -69.59 -37.1 76.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -56.65 -35.89 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 73' ' ' ALA . 5.9 mt -74.86 -16.7 60.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 10.7 mt -95.22 165.38 16.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.01 7.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.41 98.49 0.61 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.886 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 9.6 mmt-85 -146.69 17.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.843 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 2.0 p 45.73 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.07 -57.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -30.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -68.1 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.954 HG11 HG21 ' A' ' 84' ' ' ILE . 92.8 t -53.99 -57.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.641 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -39.36 -43.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.1 t-20 -74.95 -47.97 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.635 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.7 t60 -46.61 -22.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.632 ' CZ2' ' ND1' ' A' ' 74' ' ' HIS . 1.3 t-105 -69.52 -53.57 18.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.409 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 68.4 m-80 -88.13 -6.27 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 98' ' ' ASN . 1.3 t -72.24 -73.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -136.55 -8.06 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 99' ' ' HIS . 0.9 OUTLIER -98.02 33.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.632 HG12 ' H ' ' A' ' 7' ' ' LYS . 5.1 t -110.15 -133.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.632 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 29.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 123.16 79.36 0.46 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.04 21.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.654 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.2 m0 -90.43 158.74 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' GLU . 28.4 p -147.24 -165.39 2.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttt -39.83 -53.96 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -45.04 -40.35 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.771 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.41 -47.5 81.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.583 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -62.07 -49.36 76.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -48.01 -24.31 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.2 tttp -72.41 -53.82 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.881 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.3 t -45.96 -30.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.643 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.81 -47.97 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.81 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.655 HD13 ' CD2' ' A' ' 36' ' ' HIS . 1.4 mt -89.29 -30.8 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 18' ' ' VAL . 39.0 t -70.1 -34.94 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.07 -38.31 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -70.11 -23.05 62.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.717 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.7 m-30 -98.78 -48.94 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.56 0.27 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.156 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.732 HG23 HG13 ' A' ' 22' ' ' VAL . 0.5 OUTLIER 77.89 52.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 -55.52 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.25 73.16 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -54.77 -21.11 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.557 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.83 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.717 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.05 -45.74 61.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.881 ' CG1' HG13 ' A' ' 18' ' ' VAL . 3.6 mp -61.67 -39.2 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.05 16.7 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.557 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -120.86 -33.73 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.655 ' CD2' HD13 ' A' ' 21' ' ' LEU . 5.9 m80 -82.57 -54.86 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.771 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -84.73 65.85 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 80.74 0.91 88.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 157.58 -170.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.41 126.92 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.42 107.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -64.7 61.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.589 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER 169.33 54.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.64 80.57 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.288 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER 58.88 113.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 164.79 50.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 179.21 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.604 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -112.58 -34.84 5.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -85.15 -36.68 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.963 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.611 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 57.5 m95 -62.32 173.65 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.3 p -123.04 -158.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.6 mm-40 -79.84 -80.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -34.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -63.6 -40.67 97.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t0 -66.86 -47.44 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLU . 2.3 mmp_? -59.01 -62.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' ALA . 86.0 mt -37.48 -70.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.872 HD13 HG13 ' A' ' 96' ' ' VAL . 13.0 mt -48.25 -50.94 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.1 -14.24 9.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 3.1 mm-40 -125.5 15.65 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.996 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -119.89 -11.29 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.88 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 17.2 t-80 -88.53 -24.63 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.31 11.95 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -115.03 -32.14 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.996 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -118.37 -75.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.61 110.44 1.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.545 ' H ' ' CD2' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 36.07 31.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 1.1 mpt_? -82.98 48.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.88 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -51.55 -37.17 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.03 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.22 35.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -109.98 -36.47 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.711 HG21 HG11 ' A' ' 96' ' ' VAL . 3.5 mm -54.47 -53.88 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -59.51 -38.95 82.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -63.77 -33.98 76.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.03 6.74 20.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.799 HD11 HD11 ' A' ' 70' ' ' ILE . 14.6 mt -107.23 161.44 22.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.2 -133.37 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 73.8 mmt-85 47.81 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 4.2 p -138.75 -173.15 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.74 -33.56 52.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.44 -22.29 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.05 -61.28 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.872 HG13 HD13 ' A' ' 70' ' ' ILE . 85.9 t -55.48 -60.51 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 10.0 ttpp -36.9 -52.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.4 t-20 -65.61 -54.48 27.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 1.018 ' CE1' HD11 ' A' ' 104' ' ' ILE . 15.3 t-160 -45.29 -26.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.827 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.9 t-105 -63.81 -69.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.5 m-80 -67.19 -4.85 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.2 m -71.7 -79.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -123.48 -13.54 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.018 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.2 mt -91.92 34.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.874 HG23 HG11 ' A' ' 6' ' ' VAL . 8.5 mm 65.11 71.79 0.51 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.523 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.05 -163.3 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.747 ' O ' HD12 ' A' ' 5' ' ' LEU . 22.8 t0 -67.5 166.65 14.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 73.71 14.95 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.874 HG11 HG23 ' A' ' 2' ' ' ILE . 35.0 t -93.53 -25.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 20.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.6 67.6 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.81 5.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.704 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 9.4 m95 -79.05 171.9 14.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.463 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.3 p -152.23 -163.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 tmtt? -62.3 -31.26 71.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -51.62 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -50.34 -39.98 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' HA ' HD11 ' A' ' 37' ' ' LEU . 4.0 m-20 -64.24 -29.08 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -64.43 -29.51 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.574 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.9 tttp -70.06 -46.8 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 HG13 ' A' ' 33' ' ' ILE . 2.2 t -52.66 -38.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.546 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -68.84 -33.39 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.9 -21.94 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 36' ' ' HIS . 1.5 mt -89.02 -44.49 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.983 HG22 HD11 ' A' ' 33' ' ' ILE . 54.9 t -59.82 -34.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -76.5 -40.44 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -73.9 -15.17 61.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.664 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -100.32 -52.58 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 120.55 5.1 10.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.874 HG23 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 71.62 55.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.425 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 -44.31 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -95.81 73.41 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 62.5 m95 -58.16 -17.85 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.29 -29.57 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.88 -55.16 32.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.983 HD11 HG22 ' A' ' 22' ' ' VAL . 4.3 mp -45.37 -61.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.522 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -61.58 -63.24 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 31' ' ' THR . 12.1 tttt -44.06 -28.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.553 ' CD2' HD13 ' A' ' 21' ' ' LEU . 17.6 m80 -84.19 -59.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD22 ' HZ3' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -97.87 92.18 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -161.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.27 -48.84 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.41 -172.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.33 145.39 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.522 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -86.03 13.43 56.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 44' ' ' GLN . 2.6 tptt -80.83 -138.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 35.55 66.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.2 m -166.27 -44.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 108.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 6.5 mtt180 -36.79 -35.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.17 56.55 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.65 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.872 ' HB3' HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -98.79 -21.28 16.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.78 -31.12 10.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -110.05 75.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.41 -63.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.585 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tt -39.93 123.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.2 t30 178.23 65.45 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -157.74 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 61' ' ' SER . 2.0 mt-10 -113.32 -170.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.604 HG23 ' CA ' ' A' ' 63' ' ' THR . 86.9 t -71.74 -26.41 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 59' ' ' LYS . 24.5 tttt -176.15 35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.7 OUTLIER 56.42 110.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 85.28 -43.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 60' ' ' SER . 4.4 m -58.27 -154.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 68.6 m95 -62.69 175.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.604 ' CA ' HG23 ' A' ' 57' ' ' VAL . 4.9 p -124.27 -158.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 14.7 mm-40 -80.85 -82.04 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -29.73 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.67 -41.26 79.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.97 -47.4 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 mtp180 -56.35 -61.55 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.87 HD12 HD11 ' A' ' 88' ' ' LEU . 61.1 mt -37.39 -65.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.966 HD13 HG13 ' A' ' 96' ' ' VAL . 35.5 mt -51.38 -45.49 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 49.8 t80 -66.7 -14.07 62.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -126.87 21.25 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.6 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -117.92 -33.91 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.891 ' CE1' ' CH2' ' A' ' 81' ' ' TRP . 11.4 t60 -69.66 -14.62 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.44 11.54 36.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -114.75 -36.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -123.95 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.591 ' O ' ' ND1' ' A' ' 74' ' ' HIS . . . 161.82 -131.65 2.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.624 ' HA ' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -89.35 25.62 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.18 55.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.891 ' CH2' ' CE1' ' A' ' 74' ' ' HIS . 16.1 m95 -50.86 -36.16 36.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.54 -29.12 61.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.62 -39.62 10.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.0 HG21 HG11 ' A' ' 96' ' ' VAL . 3.8 mm -50.18 -48.56 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -67.06 -45.46 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -41.53 -28.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.46 ' HB2' HD22 ' A' ' 88' ' ' LEU . 11.4 mt -74.25 -51.67 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.87 HD11 HD12 ' A' ' 69' ' ' ILE . 1.1 mm? -98.83 111.23 60.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.55 8.71 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.78 -51.44 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.0 mmt180 -89.24 160.13 17.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -107.2 -169.8 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -74.2 -44.77 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -13.98 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.35 -66.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.0 HG11 HG21 ' A' ' 84' ' ' ILE . 57.9 t -54.91 -51.17 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -42.25 -59.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.5 t-20 -60.27 -44.07 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 20.4 t-160 -48.72 -23.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.655 ' CZ3' HG22 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -68.52 -53.13 25.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.019 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 54.6 m-80 -83.41 -4.44 58.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 50.7 m -73.46 -77.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 m -132.32 -6.78 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.558 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -100.49 35.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -120.53 39.96 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -68.58 -61.9 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.49 86.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -155.99 -46.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.31 33.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.457 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -136.81 61.88 38.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.99 1.19 8.01 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.488 1.783 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' A' ' 5' ' ' LEU . 7.9 t70 -119.04 41.34 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.87 HD11 ' C ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER 37.97 95.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.369 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.586 HG12 ' H ' ' A' ' 7' ' ' LYS . 2.1 t -128.81 -144.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.586 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.56 28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 111.57 77.14 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.775 ' CZ3' HD12 ' A' ' 37' ' ' LEU . 8.6 m0 -62.5 164.66 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.1 p -152.58 172.62 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -38.15 -32.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -62.02 -55.13 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.805 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.98 -21.15 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.571 ' O ' HD13 ' A' ' 19' ' ' ILE . 3.3 m-20 -91.43 -19.04 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 2.8 pt20 -88.75 -27.89 20.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -47.05 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.739 HG21 HG23 ' A' ' 33' ' ' ILE . 2.1 t -65.03 -37.12 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.658 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -63.07 -72.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -44.76 -22.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.09 HD13 HD13 ' A' ' 32' ' ' LEU . 20.5 mt -81.25 -77.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.92 ' CG2' HD11 ' A' ' 33' ' ' ILE . 4.0 t -41.96 -30.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.25 -49.79 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -68.49 -20.84 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.661 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.7 m-30 -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.739 ' C ' HG22 ' A' ' 27' ' ' THR . . . 49.25 108.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.739 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 160.6 -71.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.689 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.25 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 8.2 mt-30 -109.51 95.3 5.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 25.7 m95 -97.29 -8.73 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -72.9 -49.22 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.09 HD13 HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -49.82 -49.35 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.92 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.4 mp -54.33 -38.64 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.12 14.18 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -116.34 -39.27 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.778 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.9 m-70 -83.47 -10.56 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.805 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -147.01 117.42 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -88.09 169.86 11.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.87 ' C ' HD11 ' A' ' 5' ' ' LEU . . . 105.64 -53.48 0.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.528 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -103.26 153.97 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.47 -172.08 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.88 68.65 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -144.02 -51.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.42 97.07 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' CB ' HG21 ' A' ' 33' ' ' ILE . 1.9 m -162.48 -65.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.777 ' HD2' HG21 ' A' ' 22' ' ' VAL . 4.5 ptm180 -82.91 46.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -105.48 31.14 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.542 ' O ' ' CG ' ' A' ' 52' ' ' HIS . 1.8 ttt180 -89.89 -50.19 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.658 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -79.0 -17.01 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.68 -63.75 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.38 48.77 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -101.63 -66.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -40.39 105.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -95.47 125.7 48.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.5 Cg_endo -75.0 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 68.2 tt0 54.22 165.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 57' ' ' VAL . 99.0 t -90.19 22.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER 88.78 92.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 43.77 -165.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.41 ' O ' ' OG ' ' A' ' 61' ' ' SER . 0.3 OUTLIER -54.39 111.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 60' ' ' SER . 0.7 OUTLIER -172.14 -150.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.598 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 79.8 m95 -62.82 177.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 p -124.6 -156.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.1 mt-10 -82.06 -81.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -44.06 -32.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.976 ' HG2' HD22 ' A' ' 88' ' ' LEU . 2.2 mt-10 -65.94 -41.91 90.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -70.96 -49.14 48.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.1 mmp_? -58.85 -62.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.979 HD12 HD21 ' A' ' 88' ' ' LEU . 27.9 mt -38.74 -70.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.724 HD13 HG13 ' A' ' 96' ' ' VAL . 64.6 mt -43.22 -55.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -50.23 -38.79 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.13 12.2 35.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . . . -111.12 -22.55 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.79 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.8 t-80 -75.51 -15.5 60.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.13 11.45 39.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -112.49 -28.4 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -133.05 -69.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.79 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.36 -122.96 1.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.78 19.41 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 52.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.3 m95 -47.81 -36.98 12.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.999 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.19 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 3.4 mm-40 -109.56 -44.38 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.886 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -44.85 -38.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -75.18 -38.38 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' GLU . 34.2 mttt -62.79 74.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.523 HD13 ' CG2' ' A' ' 69' ' ' ILE . 3.7 mt -156.48 -43.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.979 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -124.53 150.79 65.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.91 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.4 142.17 4.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.48 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 69.8 mmt-85 67.13 125.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 71.8 p -92.43 -139.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 -48.08 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -61.26 -14.39 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -82.26 -69.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.886 HG11 ' CG2' ' A' ' 84' ' ' ILE . 97.7 t -54.43 -50.59 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.631 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.9 ttpp -38.43 -64.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -57.16 -49.32 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 1.053 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.8 t60 -44.59 -28.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.841 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.1 t-105 -61.77 -68.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.452 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 67.8 m-80 -69.43 -3.94 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 22.4 t -72.05 -78.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -126.03 -12.99 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.053 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -90.96 31.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 22.1 mmmt -147.31 105.43 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.77 -68.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 5.2 tttt -67.25 77.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.9 OUTLIER -152.73 -46.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' N ' HG12 ' A' ' 108' ' ' VAL . 7.5 t0 -152.69 76.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.602 HG22 ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -131.81 174.82 4.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.649 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.2 Cg_endo -75.02 -161.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.816 ' O ' HD12 ' A' ' 5' ' ' LEU . 12.8 t70 -81.49 165.29 21.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 79.06 16.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.4 t -80.05 -27.89 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 16.52 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 176.13 62.9 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 126.24 9.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 7.1 m0 -72.84 160.69 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 10' ' ' TRP . 71.7 p -153.17 171.65 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' THR . 3.0 tptm -39.86 -32.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.08 -51.42 68.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.945 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -53.55 -31.84 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.543 ' O ' HD13 ' A' ' 19' ' ' ILE . 10.0 m-20 -78.21 -47.69 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -53.51 -24.66 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.0 tttp -83.61 -53.35 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.7 t -56.68 -36.5 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.767 HD12 ' CZ2' ' A' ' 49' ' ' TRP . 1.1 mp -65.34 -75.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.639 ' N ' HG22 ' A' ' 19' ' ' ILE . 32.8 tt0 -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.724 ' CD1' ' CD2' ' A' ' 36' ' ' HIS . 41.8 mt -54.62 -56.23 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.645 ' CG2' HD11 ' A' ' 33' ' ' ILE . 21.4 t -61.78 -14.53 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -15.12 33.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -20.35 12.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.872 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.4 m-30 -93.98 -53.46 3.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' ' 27' ' ' THR . . . 145.0 -116.11 0.9 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.502 1.127 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 26' ' ' GLY . 1.0 OUTLIER -163.36 29.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.402 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -132.67 8.0 4.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.469 ' C ' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -120.28 94.01 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.611 ' HA ' HD13 ' A' ' 33' ' ' ILE . 17.6 m95 -84.46 -6.11 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -69.03 -47.84 64.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.356 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.904 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -52.09 -16.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.831 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.8 mp -90.53 -48.66 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.02 28.9 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 31' ' ' THR . 16.8 tttt -126.19 -38.08 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.724 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -85.93 -9.94 56.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.533 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.945 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -142.39 109.62 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -99.65 124.83 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.67 -27.8 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 165.97 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.51 164.62 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.17 96.27 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.57 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.3 96.49 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.7 -77.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 25.4 ptt180 -95.51 76.6 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -110.88 -13.35 14.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -94.76 -90.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.767 ' CZ2' HD12 ' A' ' 19' ' ' ILE . 12.1 p-90 -41.87 -30.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' C ' ' A' ' 48' ' ' ARG . 9.5 t-80 -61.91 -64.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 3.2 m120 -106.14 -146.65 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' ' 51' ' ' ASN . 13.9 m-70 71.89 -51.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.659 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.553 ' O ' HD23 ' A' ' 53' ' ' LEU . 3.2 tt -74.54 81.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -168.54 66.58 0.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.258 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -157.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -130.97 -171.03 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.826 HG23 ' HG2' ' A' ' 64' ' ' GLU . 89.1 t -68.8 -37.44 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt 178.47 158.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -66.16 104.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 84.05 -153.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.62 -150.95 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.945 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.619 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 64.5 m95 -62.85 174.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.414 ' O ' HG21 ' A' ' 57' ' ' VAL . 22.3 p -123.81 -158.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.826 ' HG2' HG23 ' A' ' 57' ' ' VAL . 10.5 mm-40 -80.32 -79.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.57 -34.38 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 70' ' ' ILE . 1.4 mt-10 -65.26 -38.46 90.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.0 OUTLIER -69.59 -50.67 42.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.0 mtp180 -58.49 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.854 HG21 HD11 ' A' ' 88' ' ' LEU . 93.0 mt -36.81 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.701 HD13 HG13 ' A' ' 96' ' ' VAL . 29.3 mt -49.31 -51.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 10.7 t80 -54.82 -23.25 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . 4.3 pt-20 -113.8 11.46 18.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . . . -107.29 -24.03 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.825 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.5 t-80 -75.19 -15.36 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 11.62 38.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -112.06 -30.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -132.48 -73.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.825 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.34 -127.85 1.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.574 ' HA ' ' HE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -88.94 24.24 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -72.22 53.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.746 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 15.9 m95 -47.87 -34.41 8.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.981 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.55 -32.84 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.486 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -102.41 -37.01 8.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.874 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -54.23 -46.99 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 70.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.673 ' HG ' HD13 ' A' ' 88' ' ' LEU . 3.5 tp -165.98 -42.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.854 HD11 HG21 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -100.03 144.79 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.4 Cg_endo -74.95 87.67 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 145.97 5.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 28.7 mmt180 68.8 148.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 14.8 p -114.43 -148.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.67 -50.89 10.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -14.32 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.874 HG11 ' CG2' ' A' ' 84' ' ' ILE . 62.4 t -55.05 -52.34 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.4 ttpp -37.67 -62.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -58.31 -44.93 88.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.828 ' NE2' HD11 ' A' ' 104' ' ' ILE . 3.4 t60 -50.26 -22.65 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.913 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -67.28 -52.85 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 55.5 m-80 -83.81 0.15 48.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 47.5 t -75.05 -75.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.13 -8.38 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.913 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.1 mt -99.25 38.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.48 ' C ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -124.36 47.14 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -78.01 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.2 OUTLIER -64.51 79.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' ARG . 2.4 t -152.26 -47.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -88.61 45.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.975 HD12 HG11 ' A' ' 6' ' ' VAL . 6.7 mm -127.32 72.15 77.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.667 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.0 -156.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.788 ' O ' HD12 ' A' ' 5' ' ' LEU . 19.9 t70 -66.87 164.11 18.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 79.79 8.27 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.975 HG11 HD12 ' A' ' 2' ' ' ILE . 13.6 t -105.06 -131.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.695 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.07 29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 122.67 78.23 0.43 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 8.6 m0 -66.87 160.68 25.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.5 p -152.59 170.63 19.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -42.3 -33.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -58.01 -45.14 87.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.875 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.64 -43.07 94.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LYS . 11.4 m-20 -67.09 -66.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.559 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 5.7 pt20 -38.13 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ASP . 14.2 tttt -76.36 -61.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.739 HG22 HG13 ' A' ' 33' ' ' ILE . 2.2 t -58.1 -16.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.605 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -82.79 -68.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' HG22 ' A' ' 19' ' ' ILE . 38.2 mt-10 -55.28 -19.16 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.944 HD13 HD13 ' A' ' 32' ' ' LEU . 13.1 mt -79.17 -65.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 18' ' ' VAL . 76.3 t -51.36 -20.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 23.4 mttt -72.21 -58.57 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -23.93 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.785 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.1 m-85 -84.53 -58.72 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 30.45 100.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 175.45 -64.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.699 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.3 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -107.7 86.7 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.766 ' CE3' HD13 ' A' ' 33' ' ' ILE . 26.6 m95 -91.89 -5.74 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.0 -42.31 97.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.944 HD13 HD13 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -51.13 -48.23 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.766 HD13 ' CE3' ' A' ' 30' ' ' TRP . 4.6 mp -54.55 -40.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.26 11.17 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -113.49 -38.23 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.814 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.3 m-70 -84.47 -17.37 39.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.875 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -143.52 116.2 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -122.26 113.41 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.92 -34.78 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -128.82 51.7 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 40.33 -166.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.65 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.64 -69.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.96 82.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.8 t -152.66 -47.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' CYS . 82.3 mtt180 -36.2 -33.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -67.08 81.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.573 ' O ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -155.61 -54.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.68 ' O ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -119.53 -17.12 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.039 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -42.19 75.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.549 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -86.65 -45.16 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 4.3 m80 -52.74 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -52.35 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -150.82 139.39 12.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.5 Cg_endo -74.99 -90.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 57' ' ' VAL . 15.0 tt0 56.84 159.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 58' ' ' LYS . 98.0 t -91.99 -105.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.536 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER 51.64 -168.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.48 -169.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.3 OUTLIER -44.4 156.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.031 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.1 m 84.99 -156.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.959 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.584 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 75.0 m95 -63.66 176.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.05 -166.27 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mm-40 -75.31 -77.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -47.49 -31.89 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.5 mt-10 -67.43 -32.78 73.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.8 t0 -67.61 -54.75 17.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ILE . 16.3 mmm180 -54.87 -60.37 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.71 HG22 HD21 ' A' ' 88' ' ' LEU . 72.0 mt -37.63 -53.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.732 HD12 HG13 ' A' ' 96' ' ' VAL . 1.3 mm -52.77 -70.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -46.43 -23.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.832 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -77.15 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.984 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.85 -26.97 38.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.71 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 11.9 t-80 -76.45 -18.08 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -101.69 16.45 25.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.8 t -125.96 -40.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -111.94 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.71 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 157.08 -121.9 1.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.62 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.02 58.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -52.88 -33.67 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.04 -23.8 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' ARG . 11.7 mm-40 -113.77 -9.08 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.719 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -81.78 -39.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -72.67 -31.96 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -42.53 -29.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' ALA . 2.2 mp -78.34 -47.95 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.71 HD21 HG22 ' A' ' 69' ' ' ILE . 1.6 mm? -94.89 111.96 56.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 152.48 41.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.07 -31.22 6.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.722 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 34.3 mmt180 -103.52 134.96 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 20.2 p -91.42 -153.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -83.54 -47.8 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.66 -14.25 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.722 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -76.5 -67.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.732 HG13 HD12 ' A' ' 70' ' ' ILE . 67.0 t -57.47 -54.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.636 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.6 ttpp -39.18 -57.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -58.64 -44.0 89.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 1.115 ' CD2' HD11 ' A' ' 104' ' ' ILE . 8.6 t60 -58.07 -21.54 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.567 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.886 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.3 t-105 -67.29 -45.73 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 55.5 m-80 -89.36 0.85 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 16.0 m -74.16 -83.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.86 -5.79 6.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.115 HD11 ' CD2' ' A' ' 99' ' ' HIS . 6.4 mt -88.42 38.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 23.2 mmmt -107.05 -168.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 108' ' ' VAL . 11.2 mtm180 -97.37 -80.32 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.45 60.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.9 OUTLIER -124.64 -60.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.544 ' N ' HG12 ' A' ' 108' ' ' VAL . 13.4 t0 37.52 56.95 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.442 HG22 HG13 ' A' ' 108' ' ' VAL . 10.1 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.741 ' O ' HD12 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -102.2 159.14 30.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -75.03 -161.32 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' A' ' 5' ' ' LEU . 1.1 t70 33.32 79.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.686 HD23 ' HG2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 58.99 132.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 7' ' ' LYS . 1.1 t -100.43 -161.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.629 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -84.04 8.33 15.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 178.42 59.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HG2' HD23 ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.99 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.538 ' CE3' ' HB3' ' A' ' 14' ' ' GLU . 12.2 m0 -55.24 172.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 10.5 p -151.49 -163.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -49.71 -34.57 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.574 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.92 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.538 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 11.0 mp0 -51.31 -39.57 57.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -63.5 -28.52 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.574 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -66.5 -28.87 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 1.2 tttp -67.74 -48.67 65.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.73 HG21 HG23 ' A' ' 33' ' ' ILE . 1.9 t -50.5 -51.19 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.601 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -52.97 -39.6 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.85 -22.29 62.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -83.16 -72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.928 HG22 HD11 ' A' ' 33' ' ' ILE . 17.7 t -40.94 -29.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -70.24 -53.93 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -66.04 -23.23 66.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.639 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.7 m-30 -85.24 -59.45 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.667 ' C ' HG22 ' A' ' 27' ' ' THR . . . 41.54 106.29 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.671 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 165.19 -69.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.671 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 166.89 63.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -125.67 79.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.589 ' CZ3' ' HB3' ' A' ' 45' ' ' CYS . 38.6 m95 -85.09 -8.01 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 108.006 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.49 -41.39 80.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -51.77 -48.4 63.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.928 HD11 HG22 ' A' ' 22' ' ' VAL . 4.9 mp -57.19 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -25.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 31' ' ' THR . 1.4 tmmt? -80.93 -36.69 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 12.4 m170 -84.16 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD11 ' CG2' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -94.0 92.43 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 36.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.33 -15.23 64.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.67 164.2 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.05 -174.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.86 24.73 19.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -77.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -82.64 52.2 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.589 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -95.66 -52.78 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.0 mtt180 -60.81 80.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' CYS . 6.2 tt0 -149.66 -40.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH1' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -38.08 -34.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -117.23 -42.07 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.029 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -42.38 -71.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -103.52 76.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ASN . 8.8 t-80 -150.24 -47.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -39.45 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' HIS . 9.9 t30 -121.05 96.32 48.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -157.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.87 -167.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.616 HG12 ' N ' ' A' ' 58' ' ' LYS . 79.4 t -76.22 -103.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.616 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER 59.89 -166.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' CD ' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER 49.51 -171.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.54 167.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.86 -147.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.621 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 42.9 m95 -62.34 -173.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.034 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.7 p -148.81 -163.28 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' ASP . 22.8 mm-40 -73.67 -76.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -44.88 -37.26 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.97 -34.26 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.7 t70 -69.72 -53.26 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 18.0 mmm180 -57.1 -57.99 10.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.513 ' CG2' HD13 ' A' ' 87' ' ' LEU . 65.9 mt -42.01 -73.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.645 HG21 HG13 ' A' ' 96' ' ' VAL . 30.0 mt -45.13 -55.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 24.0 t80 -47.97 -21.02 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -95.97 -45.53 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -53.66 -28.94 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.765 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.4 t-80 -72.23 -13.84 61.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 14.03 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -116.91 -34.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -126.82 -73.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.765 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.23 -118.17 0.84 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.44 19.38 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.35 57.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.674 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.5 m95 -52.66 -33.66 48.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.99 68.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -112.09 -9.83 13.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.641 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -79.31 -45.91 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 91' ' ' ARG . . . -57.92 -17.61 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -69.47 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.542 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -157.17 -37.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.781 ' N ' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -91.95 -175.45 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.583 ' CD ' ' CB ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 1.81 7.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.82 119.79 1.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 88' ' ' LEU . 30.3 mmt180 -148.5 18.97 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.476 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 69.3 p 42.3 -103.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.476 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -163.81 -44.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -15.7 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -73.76 -65.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.645 HG13 HG21 ' A' ' 70' ' ' ILE . 62.1 t -62.9 -48.45 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -38.61 -49.24 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.2 t-20 -74.04 -38.48 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.621 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.1 t60 -52.48 -19.12 2.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -72.41 -49.78 31.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.003 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 58.0 m-80 -87.89 -5.92 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.499 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 23.4 m -72.09 -75.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.8 m -134.71 -7.02 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.55 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 0.8 OUTLIER -99.05 33.74 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -117.78 38.74 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -75.76 -69.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.09 59.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 109' ' ' ASP . 1.9 t -80.11 -66.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.174 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.522 ' N ' HG12 ' A' ' 108' ' ' VAL . 5.0 t0 38.35 69.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.342 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.878 HG23 HG11 ' A' ' 6' ' ' VAL . 13.8 mm 52.64 65.2 6.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.573 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.92 -160.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.422 1.749 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.848 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.7 t70 -71.51 160.69 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 76.06 13.93 2.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.878 HG11 HG23 ' A' ' 2' ' ' ILE . 12.0 t -83.71 -24.22 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -78.03 16.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.45 67.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 121.81 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.637 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.7 m95 -81.23 168.93 17.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 16.4 p -151.93 -164.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 ttpt -58.28 -34.16 70.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -50.82 -40.61 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 63.5 m-20 -63.08 -30.09 71.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -66.96 -25.81 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 10.5 tttt -67.97 -53.2 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG11 HG23 ' A' ' 33' ' ' ILE . 11.5 t -49.17 -50.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.536 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -58.11 -42.59 83.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.08 -11.82 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -83.23 -50.44 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.875 HG22 HD11 ' A' ' 33' ' ' ILE . 3.9 t -64.8 -26.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -41.24 60.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.34 -23.13 37.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 4.5 m-30 -86.2 -57.69 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 32.37 94.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.551 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -175.43 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.409 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 170.46 46.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.452 HE22 HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -113.34 94.8 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.729 ' HA ' HD13 ' A' ' 33' ' ' ILE . 33.2 m95 -115.26 -4.52 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -44.22 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.067 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.7 -23.61 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.067 ' N ' HD13 ' A' ' 32' ' ' LEU . 2.3 mp -67.91 -49.47 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.65 4.47 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 -18.18 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.808 ' CE1' HD23 ' A' ' 32' ' ' LEU . 9.5 m-70 -88.92 -41.84 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.637 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 2.0 mt -108.04 94.31 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -81.91 -162.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.45 -52.56 3.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.4 173.6 10.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.68 151.68 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -44.7 104.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLY . 7.6 tmtt? -39.41 94.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER 62.65 129.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.1 t -124.48 103.38 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.6 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.3 mtt180 66.54 87.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.25 29.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -178.66 -78.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 108.021 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -40.54 -34.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -112.71 53.99 0.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' TRP . 2.9 t-80 -121.67 -75.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.562 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mp 59.11 155.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.6 t30 169.85 67.51 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -157.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.41 -167.82 2.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 58' ' ' LYS . 55.5 t -74.51 -99.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.656 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -136.3 -169.5 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.98 105.78 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER 172.02 -96.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.4 m 162.93 38.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.604 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 85.0 m95 -102.55 -168.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.493 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -148.73 -165.81 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -77.64 -81.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.47 -27.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.493 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 27.8 mt-10 -70.31 -38.68 74.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.8 t0 -66.38 -49.67 66.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ILE . 19.2 mmm180 -54.52 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 73.9 mt -37.81 -47.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.78 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -56.61 -70.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 2.1 t80 -48.47 -22.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.823 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -76.8 -53.8 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.792 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -64.21 -27.5 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.704 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.5 t-80 -73.13 -15.83 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.55 16.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.8 t -126.16 -41.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.792 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -111.2 -76.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.704 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.87 -118.71 0.87 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 19.08 5.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.609 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.02 57.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.242 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.0 m95 -51.88 -34.34 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.93 -27.27 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.1 mm-40 -110.79 -8.2 14.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.81 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -80.87 -41.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -70.57 -15.66 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.89 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 69' ' ' ILE . 5.4 mp -74.33 -6.27 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.23 159.02 43.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.68 104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.893 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 72.2 mmt-85 -149.36 20.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.548 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 19.9 p 36.86 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -115.35 -37.24 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -14.07 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -80.25 -69.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.81 HG11 ' CG2' ' A' ' 84' ' ' ILE . 58.3 t -58.4 -54.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.0 ttpp -38.68 -63.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -55.71 -52.58 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.977 ' CE1' HD11 ' A' ' 104' ' ' ILE . 16.5 t-160 -46.16 -25.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.848 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.0 t-105 -64.43 -68.12 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.014 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.8 m-80 -69.26 -3.5 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.6 m -72.8 -80.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -123.78 -13.13 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.977 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.6 mt -90.79 31.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 27.7 mmmt -147.62 118.9 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -71.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 5.9 tttt -69.46 77.03 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -150.2 -50.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.496 ' N ' HG12 ' A' ' 108' ' ' VAL . 4.2 t70 38.27 71.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.685 HD11 HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -75.37 174.05 6.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.564 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.1 Cg_endo -75.07 -179.96 5.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.825 ' O ' HD12 ' A' ' 5' ' ' LEU . 10.5 t0 -63.13 172.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.825 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 82.38 19.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.685 HG13 HD11 ' A' ' 2' ' ' ILE . 5.8 t -75.09 -133.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.653 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.22 29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 110.79 80.04 1.08 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.63 10.09 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.849 ' CE3' HD22 ' A' ' 37' ' ' LEU . 8.8 m0 -76.7 144.58 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 p -134.83 -166.19 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -39.1 -56.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -44.27 -61.85 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.502 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 17.0 mp0 -52.12 -42.53 63.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.485 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -62.67 -37.52 86.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -59.06 -24.56 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' A' ' 21' ' ' LEU . 3.8 tttm -69.37 -50.77 43.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.854 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.0 t -48.83 -46.18 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.595 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -62.8 -32.9 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.12 -20.83 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.569 HD11 ' HD3' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -78.83 -50.69 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.899 ' CG2' HD11 ' A' ' 33' ' ' ILE . 91.8 t -60.02 -38.04 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -66.79 -34.03 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -82.1 -25.75 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.856 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.2 m-30 -85.42 -59.0 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.679 ' C ' HG22 ' A' ' 27' ' ' THR . . . 47.76 108.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.679 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 164.22 -68.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.353 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.659 ' H ' HG23 ' A' ' 27' ' ' THR . 0.7 OUTLIER 166.41 48.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.84 93.11 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.583 ' CZ2' ' O ' ' A' ' 45' ' ' CYS . 44.3 m95 -100.35 -10.82 20.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -70.6 -41.93 71.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.856 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.57 -47.63 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.899 HD11 ' CG2' ' A' ' 22' ' ' VAL . 5.1 mp -58.1 -47.55 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.38 6.0 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' THR . 14.6 ttpt -111.79 -35.0 5.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.753 ' C ' HD23 ' A' ' 37' ' ' LEU . 12.5 m-70 -84.64 -45.59 12.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.849 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -103.28 67.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.81 -177.88 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 89.41 -35.6 3.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -116.32 32.09 6.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 41.12 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 44' ' ' GLN . . . -128.7 17.84 5.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLY . 5.3 tttm -40.0 -30.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.3 tm0? -98.79 54.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 30' ' ' TRP . 20.2 p -91.26 17.26 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 50' ' ' HIS . 3.7 mtm105 -158.35 101.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 23.2 tt0 -175.44 110.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 2.6 tmt_? 87.79 -22.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -111.36 -32.46 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.035 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -92.56 -78.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.614 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 67.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' HIS . 0.1 OUTLIER -149.54 -65.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.77 63.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -50.79 126.25 23.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -157.27 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.69 -168.37 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 58' ' ' LYS . 49.5 t -82.46 -101.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.732 ' N ' HG12 ' A' ' 57' ' ' VAL . 4.4 mttt -149.97 -165.13 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -64.86 112.52 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.4 OUTLIER 165.49 155.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.049 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -91.02 23.13 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.595 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 93.1 m95 -94.7 -172.3 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -131.15 -169.87 2.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.0 mt-10 -76.49 -74.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.3 mt-10 -47.65 -33.83 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 3.1 mt-10 -64.23 -26.43 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -75.91 -61.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 69' ' ' ILE . 11.3 ptp180 -56.71 -53.01 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.485 HG22 HD11 ' A' ' 88' ' ' LEU . 84.4 mt -46.19 -73.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.877 HG23 HG21 ' A' ' 84' ' ' ILE . 29.6 mt -45.57 -51.58 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -50.2 -22.81 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.843 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.7 mt-10 -94.66 -47.49 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 1.025 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.99 -19.42 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.859 ' CE1' ' CH2' ' A' ' 81' ' ' TRP . 17.5 t60 -83.5 -18.69 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 7.82 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.8 t -115.24 -32.43 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.025 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -122.2 -69.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.581 ' O ' ' ND1' ' A' ' 74' ' ' HIS . . . 147.35 -124.67 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.64 21.61 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.503 ' HD3' ' CG ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.54 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.859 ' CH2' ' CE1' ' A' ' 74' ' ' HIS . 12.9 m95 -51.29 -36.52 42.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.21 -24.11 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.503 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 7.0 mm-40 -102.94 -35.48 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.877 HG21 HG23 ' A' ' 70' ' ' ILE . 4.2 mm -55.4 -54.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -60.41 -38.18 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -60.45 -22.75 63.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.23 -13.94 39.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.619 HD13 HG12 ' A' ' 70' ' ' ILE . 5.2 mp -131.38 102.74 15.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 104.39 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.536 1.808 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.79 -24.34 0.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.684 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 26.8 mmt180 -133.56 155.63 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 30.1 p -96.91 -166.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.95 -47.13 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -14.75 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.684 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -81.57 -66.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.734 HG11 HG21 ' A' ' 84' ' ' ILE . 54.2 t -54.88 -55.39 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.626 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -36.85 -59.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.9 t-20 -59.74 -52.89 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.993 ' CE1' HD11 ' A' ' 104' ' ' ILE . 15.8 t-160 -45.3 -25.6 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.821 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.7 t-105 -64.19 -68.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 107.972 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.7 m-80 -68.99 -3.89 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 68.4 m -72.17 -80.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.32 -13.28 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.993 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.7 mt -90.18 29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.5 OUTLIER -147.12 110.35 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.832 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -81.72 -74.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 2.9 tttt -66.85 80.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 106' ' ' ARG . 1.3 t -99.04 -57.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.0 t70 38.75 72.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.823 HG23 ' O ' ' A' ' 2' ' ' ILE . 4.0 tp 34.02 59.19 1.99 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.549 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.1 Cg_endo -75.05 -160.04 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.5 1.789 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.728 ' O ' HD12 ' A' ' 5' ' ' LEU . 32.6 t0 -63.92 174.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 70.86 14.71 6.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 3' ' ' PRO . 54.2 t -98.49 -25.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.58 18.37 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 167.3 71.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.48 6.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.68 ' CZ3' HD23 ' A' ' 37' ' ' LEU . 7.9 m95 -79.39 171.52 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.469 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 18.4 p -152.08 -162.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 1.9 tttt -64.29 -26.46 68.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.01 -71.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' HD21 ' A' ' 37' ' ' LEU . 72.2 mm-40 -50.65 -40.22 52.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.8 m-20 -64.14 -37.06 86.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -59.99 -24.47 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -70.0 -54.32 13.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.894 HG13 HG13 ' A' ' 33' ' ' ILE . 2.8 t -48.03 -49.19 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.665 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -56.41 -39.43 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.84 -16.34 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -85.72 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.736 ' CG2' HD11 ' A' ' 33' ' ' ILE . 91.9 t -48.22 -25.9 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -59.12 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -11.51 58.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.3 m-30 -95.43 -56.08 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.618 ' C ' HG22 ' A' ' 27' ' ' THR . . . 50.77 97.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.618 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 165.73 -60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 177.99 -81.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.735 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 40.2 53.05 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.603 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 37.9 m95 -65.92 -24.29 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -67.64 -42.27 82.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -54.36 -53.93 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.894 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -47.18 -80.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -42.51 -49.47 5.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.5 ttmt -59.87 -38.51 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.771 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.5 m-70 -84.12 1.37 44.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.688 ' CD1' HG21 ' A' ' 18' ' ' VAL . 51.2 mt -154.97 93.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -95.47 -172.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.88 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.25 -168.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.83 138.7 31.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.456 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -81.66 7.82 60.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.3 OUTLIER -62.2 -137.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' LYS . 17.9 pt20 35.19 34.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.543 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -119.33 -171.89 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.603 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 47.4 mtp180 36.48 73.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -147.17 -45.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.97 71.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.665 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 21.3 p90 -107.51 -26.25 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.12 -52.85 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -100.4 86.75 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -163.62 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.577 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.928 HD12 ' HD3' ' A' ' 55' ' ' PRO . 0.2 OUTLIER 61.12 153.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 12.8 t-20 176.15 64.4 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.928 ' HD3' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 -157.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.33 -176.52 5.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 64' ' ' GLU . 2.5 t -65.35 -37.86 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER 178.68 150.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -63.51 102.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 85.19 -152.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m 49.52 -146.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.058 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.755 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 40.7 m95 -61.98 -175.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 p -144.39 -155.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 57' ' ' VAL . 1.1 mt-10 -79.74 -82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -46.63 -27.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.5 mt-10 -71.48 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.3 t70 -66.37 -52.85 42.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 69' ' ' ILE . 29.6 mmm-85 -55.46 -62.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.653 ' CG2' HD21 ' A' ' 88' ' ' LEU . 52.3 mt -35.58 -50.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -53.83 -64.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.8 t80 -59.3 -14.81 12.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -84.84 -33.8 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.585 ' CB ' HD13 ' A' ' 84' ' ' ILE . . . -85.29 -29.43 24.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.753 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.9 t-80 -65.56 -14.14 60.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -103.54 15.09 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -119.51 -37.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.739 HD22 ' HD2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -120.97 -70.19 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.86 -116.76 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.27 20.04 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.739 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.6 55.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.3 m95 -51.71 -37.43 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -25.1 21.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.5 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 2.4 mm-40 -100.24 -41.32 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.057 HG21 HG11 ' A' ' 96' ' ' VAL . 4.0 mm -47.26 -44.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -68.84 -36.11 77.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -59.52 -19.23 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 mt -93.73 -16.31 24.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 84' ' ' ILE . 1.1 mp -129.77 101.41 18.51 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.96 -24.17 0.61 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.571 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 31.5 mmt180 -125.81 158.89 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.2 p -99.6 -164.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -50.6 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -14.22 35.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -75.64 -67.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.057 HG11 HG21 ' A' ' 84' ' ' ILE . 97.1 t -55.78 -53.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -61.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.9 t-20 -57.05 -41.92 79.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.755 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.6 t60 -53.24 -20.31 3.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.539 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -73.78 -43.78 57.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 54.0 m-80 -93.66 -0.92 55.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' ASN . 34.7 m -77.35 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 -6.83 3.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.842 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 16.3 mt -107.26 43.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.555 ' CD ' ' H ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -109.29 35.78 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -84.97 -75.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.67 69.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' ARG . 2.1 t -84.15 -53.42 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -152.85 78.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.483 HD13 ' C ' ' A' ' 5' ' ' LEU . 1.2 pp -150.33 163.4 24.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.04 161.73 38.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.797 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.58 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 11.6 t70 32.46 40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.699 HD12 ' NZ ' ' A' ' 38' ' ' LYS . 0.4 OUTLIER 44.57 -167.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.511 HG12 ' H ' ' A' ' 7' ' ' LYS . 2.8 t -69.32 -133.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 43.29 25.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 112.13 75.7 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.72 23.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.995 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.0 m0 -61.15 150.95 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' LYS . 31.0 p -139.81 -163.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.6 tttt -38.72 -53.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -44.25 -72.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.628 ' CD ' ' CE3' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -50.59 -40.33 52.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.593 ' HA ' HD11 ' A' ' 37' ' ' LEU . 14.0 m-20 -63.53 -28.45 69.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.43 -28.49 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.65 -46.73 68.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.768 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.0 t -52.75 -45.58 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.579 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -57.27 -40.86 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.63 -25.18 63.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD13 HD13 ' A' ' 32' ' ' LEU . 1.8 mt -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.958 HG22 HD11 ' A' ' 33' ' ' ILE . 3.4 t -52.52 -23.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -55.91 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.68 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -84.31 -58.53 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 31.15 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 178.43 -63.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 0.74 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.679 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.27 45.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -114.25 87.09 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 33.5 m95 -93.65 -7.55 43.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.86 -40.67 91.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.68 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.01 -48.71 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.958 HD11 HG22 ' A' ' 22' ' ' VAL . 4.8 mp -57.97 -54.0 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.51 -5.3 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.4 tttt -99.78 -35.64 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.838 ' C ' HD23 ' A' ' 37' ' ' LEU . 11.6 m170 -84.27 -48.11 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.995 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -105.7 80.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.699 ' NZ ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -74.16 -166.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 90.39 -18.84 47.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -137.19 153.91 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.92 -175.53 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.02 25.09 9.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -53.37 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.366 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.0 48.2 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.578 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -81.16 -42.55 20.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -89.72 -146.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 tt0 85.2 59.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -165.02 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CZ3' HG13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -91.14 -10.64 41.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.991 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -33.16 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.648 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -109.22 63.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.33 -79.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 mp 55.89 75.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -146.61 72.77 12.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -157.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.38 -169.67 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.625 HG21 ' O ' ' A' ' 63' ' ' THR . 60.1 t -91.62 22.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 67.76 58.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 33.95 -91.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 58' ' ' LYS . 83.8 p -53.29 166.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.7 OUTLIER 83.57 -154.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 74.5 m95 -63.78 176.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.022 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.625 ' O ' HG21 ' A' ' 57' ' ' VAL . 4.4 p -124.87 -156.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mm-40 -83.78 -82.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -26.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.599 ' OE1' HD13 ' A' ' 88' ' ' LEU . 2.3 mt-10 -71.86 -42.71 66.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.82 -46.48 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.7 mmm-85 -55.95 -63.38 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ALA . 68.1 mt -37.08 -68.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.984 HD13 HG13 ' A' ' 96' ' ' VAL . 30.0 mt -49.68 -46.79 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.66 -14.98 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' O ' HG21 ' A' ' 76' ' ' VAL . 2.9 pt-20 -127.58 21.41 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.971 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -121.57 -15.61 7.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.951 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 16.2 t-80 -90.56 -23.4 20.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.6 13.83 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 72' ' ' GLU . 4.2 t -118.76 -33.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.971 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -121.68 -76.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.726 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 169.1 -140.96 6.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.57 28.14 3.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.546 ' HD3' HD13 ' A' ' 77' ' ' LEU . 2.7 ptm85 -74.42 48.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.951 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.8 m95 -41.58 -34.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.42 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' HG3' ' A' ' 80' ' ' ARG . 5.3 mm-40 -112.5 -47.4 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.936 ' CG2' HG11 ' A' ' 96' ' ' VAL . 4.1 mm -42.68 -36.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -77.45 -45.78 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -49.62 -23.52 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.55 -39.3 58.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.599 HD13 ' OE1' ' A' ' 66' ' ' GLU . 13.1 mt -104.45 118.17 57.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.03 2.39 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.06 -25.32 1.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 25.4 mmt-85 -110.02 162.51 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 25.1 p -112.43 -55.86 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.3 -64.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -29.11 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -66.29 -66.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.984 HG13 HD13 ' A' ' 70' ' ' ILE . 58.7 t -56.45 -55.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.627 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -38.8 -66.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.1 t-20 -54.41 -53.9 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 28.6 t60 -43.44 -27.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 1.174 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 8.6 t-105 -62.8 -65.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.496 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 70.4 m-80 -75.69 -1.95 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 2.0 t -76.99 -74.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -114.98 -17.18 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.174 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 5.0 mm -86.8 28.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 15.2 mmtt -153.16 77.96 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -40.75 96.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 3.4 tttt -83.0 70.12 9.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 109' ' ' ASP . 1.0 OUTLIER -152.62 -46.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 108' ' ' VAL . 6.3 t0 -154.77 81.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.391 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.661 HD12 ' CG2' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -113.28 170.56 5.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -163.25 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.734 ' O ' HD12 ' A' ' 5' ' ' LEU . 4.1 t70 -64.56 174.16 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 78.16 15.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.661 ' CG2' HD12 ' A' ' 2' ' ' ILE . 36.4 t -106.23 -26.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 22.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.09 66.72 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.773 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 7.9 m95 -76.36 170.52 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 19.9 p -152.16 -163.01 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLN . 10.5 tmtt? -60.21 -32.14 70.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -50.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 80.9 mm-40 -51.0 -39.62 56.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -64.92 -26.97 68.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.576 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 3.9 tttt -69.78 -39.52 76.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.058 HG11 HG23 ' A' ' 33' ' ' ILE . 7.4 t -64.32 -57.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.621 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -49.29 -29.65 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.19 -28.43 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.485 HD23 ' CE1' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -70.26 -41.13 73.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.599 ' CG2' HD11 ' A' ' 33' ' ' ILE . 44.4 t -69.6 -30.11 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -71.21 -27.85 63.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -26.82 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 26' ' ' GLY . 4.6 m-30 -86.82 -55.82 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.51 101.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 177.64 -66.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.444 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.651 ' H ' HG23 ' A' ' 27' ' ' THR . 12.8 tptt 178.65 37.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -111.44 91.67 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 50' ' ' HIS . 53.9 m95 -109.93 -12.54 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 -44.63 70.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.37 -18.95 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.058 HG23 HG11 ' A' ' 18' ' ' VAL . 17.1 mm -65.82 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -72.88 -30.64 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -27.98 68.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.781 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 11.8 m170 -84.19 -53.19 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.798 HD21 HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.67 96.22 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -84.06 -159.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.78 -56.89 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.68 166.12 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.99 116.65 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.812 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -56.85 -24.24 48.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -153.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 40.98 31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.48 -45.95 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -39.92 -54.33 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.91 86.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.459 ' C ' ' HB2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER 165.52 -21.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.621 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -155.22 -38.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.05 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 12.4 t-80 -62.23 -39.15 91.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 52' ' ' HIS . 7.0 m120 -108.95 -27.16 9.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.459 ' HB2' ' C ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -37.61 -43.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.57 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.28 113.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -97.25 111.62 58.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -157.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.82 -171.82 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.61 HG21 ' O ' ' A' ' 63' ' ' THR . 2.3 t -66.16 -18.47 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 174.19 62.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 33.74 87.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 84.43 -152.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.7 p 53.37 -146.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.6 m95 -61.84 175.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.61 ' O ' HG21 ' A' ' 57' ' ' VAL . 59.8 p -135.63 -159.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASP . 4.3 mm-40 -78.04 -79.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 69' ' ' ILE . 6.4 mt-10 -44.67 -40.3 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 16.3 mt-10 -60.28 -36.88 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t0 -63.67 -52.71 59.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.8 mtp180 -59.44 -58.7 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.524 HG22 HD11 ' A' ' 88' ' ' LEU . 67.1 mt -34.92 -47.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -57.15 -66.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 1.5 t80 -58.71 -15.07 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -86.91 -17.54 32.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -105.39 -28.95 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.874 ' CE1' ' CH2' ' A' ' 81' ' ' TRP . 12.4 t60 -70.62 -14.09 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -103.98 14.04 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -119.55 -40.03 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -116.96 -73.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.575 ' O ' ' ND1' ' A' ' 74' ' ' HIS . . . 158.47 -124.72 1.42 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 25.07 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.8 57.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.874 ' CH2' ' CE1' ' A' ' 74' ' ' HIS . 15.0 m95 -53.12 -36.49 60.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.49 53.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -100.5 -35.05 9.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.848 HG21 HG11 ' A' ' 96' ' ' VAL . 4.2 mm -56.15 -52.61 48.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -62.59 -39.43 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -48.62 -28.47 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -34.66 30.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 88' ' ' LEU . 2.1 mp -114.62 105.81 53.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.62 8.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.64 -10.74 75.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.7 mmt180 -148.43 167.41 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 16.7 p -112.2 -171.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -66.14 -67.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -29.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -69.09 -65.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.848 HG11 HG21 ' A' ' 84' ' ' ILE . 98.0 t -53.96 -56.35 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -39.75 -69.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 102' ' ' SER . 5.2 t-20 -55.45 -52.51 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.713 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 26.5 t60 -44.48 -30.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 1.197 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 6.3 t-105 -59.48 -65.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.585 ' O ' HG11 ' A' ' 108' ' ' VAL . 69.5 m-80 -74.22 -3.19 28.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.581 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 7.5 t -75.06 -75.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -115.95 -14.41 11.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.197 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 2.8 mm -88.25 28.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.488 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 6.1 mmtt -152.64 114.07 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.3 OUTLIER -72.81 -67.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.557 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.5 OUTLIER -66.73 72.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.585 HG11 ' O ' ' A' ' 101' ' ' ASN . 1.6 t -158.28 -53.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.1 t70 38.32 71.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' C ' HG13 ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.944 ' HB ' HG21 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 58.39 147.36 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.924 ' HD2' HG22 ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.96 -160.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.664 ' O ' HD12 ' A' ' 5' ' ' LEU . 21.1 t70 -63.36 173.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 71.5 15.54 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.944 HG21 ' HB ' ' A' ' 2' ' ' ILE . 14.0 t -107.68 -22.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 19.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 170.04 65.51 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 140.45 25.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.593 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 10.6 m95 -64.33 160.99 17.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.028 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.8 p -152.97 165.86 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' THR . 12.1 tttm -36.9 -49.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.61 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.07 -46.34 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.774 ' HB2' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -55.01 -41.31 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.459 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.9 m-20 -71.59 -70.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 2.5 pt20 -41.23 -36.57 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.693 ' HD3' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.65 -74.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 33' ' ' ILE . 2.9 t -39.77 -36.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.732 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -62.73 -67.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.3 tt0 -49.33 -21.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.773 HD13 ' CD2' ' A' ' 32' ' ' LEU . 6.0 mt -76.6 -64.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.873 HG22 HD11 ' A' ' 33' ' ' ILE . 11.4 t -50.36 -22.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.09 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -19.54 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.536 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -92.89 -57.01 2.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 25.48 93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -170.25 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.37 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 165.93 -7.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.507 ' H ' HG23 ' A' ' 27' ' ' THR . 9.2 mt-30 -69.65 83.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.617 ' HA ' HD13 ' A' ' 33' ' ' ILE . 25.7 m95 -91.35 -0.78 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.57 -43.98 58.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.886 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -50.83 -24.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 18' ' ' VAL . 2.8 mp -71.95 -45.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.681 ' HB2' ' HA2' ' A' ' 42' ' ' GLY . . . -101.49 22.72 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -117.45 -32.98 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.693 ' CE1' HD23 ' A' ' 32' ' ' LEU . 6.3 m170 -84.9 -12.87 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.774 HD13 ' HB2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -141.18 115.7 9.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.91 157.05 17.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.27 51.57 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER 170.45 158.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.13 137.92 33.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.681 ' HA2' ' HB2' ' A' ' 34' ' ' ALA . . . -68.01 -10.41 58.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.59 -147.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER 34.14 59.99 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 2.9 p -114.85 170.77 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.336 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.508 ' HB3' ' CD2' ' A' ' 50' ' ' HIS . 4.3 ptt180 35.15 88.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.7 38.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.51 -47.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.732 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -117.77 -8.15 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 108.016 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 25.3 t-80 -95.41 -40.25 9.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -112.29 59.32 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -130.29 -45.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.583 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.598 HD23 ' HD3' ' A' ' 55' ' ' PRO . 1.2 tt -39.57 118.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -148.29 85.44 6.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.598 ' HD3' HD23 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -169.2 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.47 -9.86 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.479 ' CB ' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER 171.6 168.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.57 -24.9 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 97.1 p -140.12 66.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.479 ' OG ' ' CB ' ' A' ' 58' ' ' LYS . 12.5 p -177.99 -152.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.623 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.3 m95 -62.94 173.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 p -130.07 -157.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mt-10 -81.68 -80.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -45.29 -33.51 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.7 mt-10 -66.11 -38.71 88.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -61.23 -53.51 55.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 69' ' ' ILE . 15.6 mmm180 -56.59 -64.87 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.528 ' C ' ' O ' ' A' ' 68' ' ' ARG . 87.1 mt -30.87 -46.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -58.5 -62.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.676 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -56.88 -56.1 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -56.53 -16.53 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -93.99 -39.69 10.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.799 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.1 t-80 -62.32 -13.41 28.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.577 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.23 15.3 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.5 t -120.15 -38.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.679 HD22 ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -122.0 -70.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.799 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 149.55 -119.93 1.1 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.56 21.53 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.533 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.6 55.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.68 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -51.63 -35.61 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.52 -24.36 55.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.679 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -100.31 -36.79 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.859 HG21 HG11 ' A' ' 96' ' ' VAL . 3.8 mm -53.54 -51.34 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -62.55 -33.95 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 1.85 28.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.418 HD22 ' OE1' ' A' ' 66' ' ' GLU . 9.4 mt -111.43 159.99 30.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.32 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -151.64 -142.55 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' GLY . 29.4 mmt180 55.52 164.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 45.5 p -122.02 -64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' N ' ' OG1' ' A' ' 92' ' ' THR . 2.1 p-10 -176.43 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -14.16 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.31 -64.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.859 HG11 HG21 ' A' ' 84' ' ' ILE . 92.4 t -54.33 -58.04 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.637 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -38.9 -61.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.444 ' C ' ' HG ' ' A' ' 102' ' ' SER . 0.6 OUTLIER -59.18 -54.85 42.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.734 ' CD2' HD11 ' A' ' 104' ' ' ILE . 11.7 t60 -44.33 -28.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.548 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 1.078 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 7.2 t-105 -62.37 -67.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.465 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.8 m-80 -71.93 -2.81 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.533 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 63.4 m -73.32 -80.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -116.0 -15.4 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.078 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.8 mt -88.86 32.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 14.7 mmtt -153.22 100.8 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.803 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.5 mtm180 -84.52 -69.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -65.92 72.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 106' ' ' ARG . 1.6 t -99.25 -40.17 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.9 23.75 3.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.3 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -160.02 167.01 14.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.6 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.04 -168.44 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 5' ' ' LEU . 13.6 t70 -64.78 176.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 73.83 15.38 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 3' ' ' PRO . 66.8 t -97.97 -26.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 23.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.7 70.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.59 6.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.667 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m0 -75.51 169.43 18.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.464 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.6 p -152.01 -172.98 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 tptt -49.51 -31.05 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -50.53 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 17.2 mp0 -50.87 -39.88 54.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 74.7 m-20 -63.12 -29.9 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -67.9 -26.97 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 17.5 tttt -65.56 -51.42 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.912 HG11 HG23 ' A' ' 33' ' ' ILE . 9.8 t -51.28 -56.1 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.55 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -54.08 -30.54 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.38 -24.23 32.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.639 HD13 ' CD2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -70.79 -43.43 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.705 ' CG2' HD11 ' A' ' 33' ' ' ILE . 45.6 t -70.55 -37.12 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -16.66 62.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.32 -23.62 12.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.598 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 4.4 m-30 -87.92 -57.28 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 41.74 101.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 174.45 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.391 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.694 ' H ' HG23 ' A' ' 27' ' ' THR . 0.9 OUTLIER 168.93 54.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.527 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 3.6 mt-30 -114.08 98.96 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.712 ' HA ' HD13 ' A' ' 33' ' ' ILE . 33.7 m95 -112.77 -6.11 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.062 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -84.48 -49.08 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.427 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.843 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -50.85 -23.49 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.912 HG23 HG11 ' A' ' 18' ' ' VAL . 2.3 mp -70.91 -45.23 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.18 18.71 16.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.73 -31.62 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.659 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -85.36 -51.9 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.667 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 5.9 mt -84.39 86.28 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -160.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -50.87 4.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.72 -178.55 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -72.55 149.99 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.57 144.69 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 80.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER 63.4 78.51 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.3 p -51.37 136.8 24.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 45.9 mtm-85 43.33 87.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -164.62 126.98 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 9.2 ttm-85 80.91 -3.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.619 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 7.0 m0 -129.5 -67.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.018 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -56.94 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.58 84.88 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.05 -45.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.51 112.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -171.8 80.45 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -157.74 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.05 -170.38 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.618 HG12 ' N ' ' A' ' 58' ' ' LYS . 93.0 t -83.23 -105.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.618 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.5 OUTLIER 40.31 -162.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER 58.23 -166.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.3 p -65.35 75.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' LYS . 4.6 p -177.14 -156.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.62 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 80.8 m95 -63.22 176.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.504 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -129.21 -166.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.25 -78.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.23 -27.16 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 20.7 mt-10 -72.33 -41.01 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.09 -50.89 72.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 69' ' ' ILE . 10.5 mtp180 -57.6 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.518 HD13 HD11 ' A' ' 88' ' ' LEU . 76.1 mt -33.56 -38.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -68.14 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.31 -53.46 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 pt-20 -54.24 -47.23 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -61.51 -40.25 93.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.78 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.0 t-80 -65.73 -13.58 59.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.581 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.55 7.14 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.7 t -118.25 -47.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.485 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -104.6 -76.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.86 -128.15 1.99 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 22.67 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.494 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.18 57.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.78 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -51.91 -34.74 42.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.5 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.629 ' OE2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -102.57 -30.15 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.877 HG21 HG11 ' A' ' 96' ' ' VAL . 7.1 mm -57.87 -48.48 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -66.04 -40.02 90.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -29.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.629 HD12 ' OE2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -74.58 -44.15 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 88' ' ' LEU . 1.6 mm? -95.93 113.17 61.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.15 -52.28 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.929 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 81.7 mmt-85 -85.54 152.05 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 42.5 p -110.61 -163.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.425 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -74.29 -64.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -42.14 -30.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.43 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -69.51 -65.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.877 HG11 HG21 ' A' ' 84' ' ' ILE . 93.5 t -57.02 -59.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.1 ttpp -36.63 -59.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.422 HD21 ' HG ' ' A' ' 102' ' ' SER . 0.6 OUTLIER -58.08 -56.98 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.985 ' CE1' HD11 ' A' ' 104' ' ' ILE . 15.2 t-160 -44.02 -27.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.744 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.0 t-105 -63.36 -70.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.036 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.449 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.7 m-80 -68.66 -4.02 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.491 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 70.6 m -71.78 -81.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -121.56 -12.68 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.985 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.1 mt -92.82 34.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 8.5 mmtt -148.78 94.22 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.447 ' NE ' ' HB2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -61.98 -49.51 75.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.447 ' HB2' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -72.63 58.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -155.51 -48.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -88.41 45.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.497 ' CD1' HG11 ' A' ' 6' ' ' VAL . 24.7 pt -73.62 134.46 79.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.738 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -74.99 -159.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.761 ' O ' HD12 ' A' ' 5' ' ' LEU . 25.7 t70 -62.95 174.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 88.47 2.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 3' ' ' PRO . 11.7 t -92.1 -130.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.671 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.49 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.19 80.62 0.78 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 123.81 8.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.915 ' CE3' HD22 ' A' ' 37' ' ' LEU . 8.1 m0 -73.91 139.85 45.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.8 p -129.06 -164.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.366 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -42.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.13 -55.46 3.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.516 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -53.01 -43.71 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.642 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.1 m-20 -62.89 -43.73 97.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -52.3 -24.54 7.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 8.9 tttm -71.46 -51.49 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.918 HG13 HG13 ' A' ' 33' ' ' ILE . 1.8 t -47.55 -35.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.562 HD12 ' CZ2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -66.08 -47.06 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.29 -37.98 89.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.752 HD13 ' CD2' ' A' ' 36' ' ' HIS . 3.0 mt -67.06 -46.26 74.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.948 ' CG2' HD11 ' A' ' 33' ' ' ILE . 75.1 t -66.56 -15.01 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.07 -43.99 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -24.69 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 1.091 ' CD2' HD23 ' A' ' 32' ' ' LEU . 5.0 m-85 -85.42 -56.66 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.949 ' O ' HG23 ' A' ' 27' ' ' THR . . . 131.43 -108.71 0.82 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.949 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -179.42 55.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -132.66 -40.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 1.5 mp0 -73.41 -66.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.609 ' HA ' HD13 ' A' ' 33' ' ' ILE . 48.6 m95 68.73 4.69 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -79.28 -38.57 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.091 HD23 ' CD2' ' A' ' 25' ' ' TYR . 1.1 pp -54.44 -50.94 66.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.948 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.8 mp -46.37 -79.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . . . -45.89 -45.35 15.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 31' ' ' THR . 8.7 ttmt -56.65 -35.64 68.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.752 ' CD2' HD13 ' A' ' 21' ' ' LEU . 1.9 m80 -84.06 -66.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.915 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -86.22 60.77 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -66.51 -168.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 113.6 -42.06 2.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.66 34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' ALA . 3.0 mm? -92.06 -172.45 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.77 5.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.35 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 73.85 5.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 21.1 p -127.47 164.41 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 37.46 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -178.62 -40.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.44 ' O ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -89.45 -20.99 23.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.617 ' CZ3' HG11 ' A' ' 22' ' ' VAL . 2.3 m0 -92.05 -43.25 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' HIS . 27.5 m-70 -62.42 -104.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.593 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 80.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -156.35 -51.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.555 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.05 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.7 t30 40.97 65.79 4.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -157.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.001 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.44 -167.71 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.919 HG11 ' HB2' ' A' ' 62' ' ' TRP . 14.1 t -92.8 20.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 57' ' ' VAL . 0.6 OUTLIER 81.2 86.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 41.33 -161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 p -44.44 112.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p -179.33 -153.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.919 ' HB2' HG11 ' A' ' 57' ' ' VAL . 71.1 m95 -62.56 176.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.2 -166.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -74.45 -78.61 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.97 -34.62 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 22.5 mt-10 -65.47 -38.61 90.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.9 t70 -60.46 -52.6 64.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' ILE . 18.1 mmm180 -59.17 -61.41 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 77.9 mt -36.5 -50.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -57.07 -67.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -51.15 -19.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -80.2 -62.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -50.96 -36.39 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.78 ' CE1' ' CH2' ' A' ' 81' ' ' TRP . 12.9 t60 -61.87 -14.25 32.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.57 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -121.55 -40.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -115.77 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.531 ' O ' ' ND1' ' A' ' 74' ' ' HIS . . . 155.76 -119.54 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 22.12 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 56.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.78 ' CH2' ' CE1' ' A' ' 74' ' ' HIS . 12.6 m95 -52.52 -36.67 55.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.45 -23.39 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.649 ' O ' HD12 ' A' ' 87' ' ' LEU . 27.4 mm-40 -101.91 -33.95 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.072 HG21 HG11 ' A' ' 96' ' ' VAL . 5.8 mm -52.94 -50.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.52 -45.31 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.05 -29.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -76.02 -50.7 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.2 mt -94.62 118.26 66.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.58 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.78 -23.08 0.62 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.494 ' HG3' ' CH2' ' A' ' 62' ' ' TRP . 21.6 mmt180 -108.06 170.76 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 40.7 p -123.37 -65.56 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.435 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -172.42 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -14.33 29.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -77.06 -68.05 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.072 HG11 HG21 ' A' ' 84' ' ' ILE . 67.0 t -56.03 -54.48 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.3 ttpp -40.79 -61.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.402 HD21 ' HG ' ' A' ' 102' ' ' SER . 0.6 OUTLIER -55.54 -53.52 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.959 ' CE1' HD11 ' A' ' 104' ' ' ILE . 17.3 t-160 -45.18 -26.43 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.833 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.7 t-105 -64.27 -68.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.1 m-80 -68.95 -3.33 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.473 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.2 m -72.84 -81.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.32 -13.64 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.959 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.7 mt -89.95 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 16.1 mmmt -147.22 113.16 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -69.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 2.2 tttt -69.17 79.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' ASP . 1.1 t -153.89 -46.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.0 t0 38.71 71.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.921 HD12 HG22 ' A' ' 6' ' ' VAL . 2.5 pt -75.09 159.43 82.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.605 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -74.93 -161.64 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.759 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.721 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.7 t70 -64.25 -174.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.721 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 71.89 19.36 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.921 HG22 HD12 ' A' ' 2' ' ' ILE . 65.1 t -74.99 -30.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.81 17.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.75 65.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.23 37.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.621 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 11.0 m95 -72.46 157.53 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.499 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.9 p -152.95 174.31 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.53 -31.11 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -63.5 -15.32 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' CD ' ' C ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -89.01 -42.92 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.607 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 10.5 pt20 -85.66 -42.39 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.5 ttmm -72.4 -51.75 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.864 HG13 HG13 ' A' ' 33' ' ' ILE . 3.0 t -55.85 -40.16 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.672 ' HA ' ' HH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -61.52 -53.06 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -17.6 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' A' ' 32' ' ' LEU . 1.3 mt -90.34 -48.41 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.871 ' CG1' HG23 ' A' ' 27' ' ' THR . 59.6 t -50.09 -23.77 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 13.3 ptpt -91.58 -43.82 9.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -70.38 -11.79 61.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CE1' HD23 ' A' ' 21' ' ' LEU . 3.3 m-85 -108.68 -49.54 3.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.82 -1.23 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.871 HG23 ' CG1' ' A' ' 22' ' ' VAL . 1.2 m 82.08 26.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 -67.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.701 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.8 mt-30 -74.39 83.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' CG ' ' A' ' 46' ' ' ARG . 27.9 m95 -67.59 -7.03 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -72.28 -42.25 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.92 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -51.45 -25.31 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.879 HD12 HD13 ' A' ' 32' ' ' LEU . 2.8 mp -71.94 -41.85 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.72 23.69 12.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -118.97 -32.8 4.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.676 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -84.19 -21.6 31.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.574 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.621 ' HB2' ' CH2' ' A' ' 10' ' ' TRP . 3.3 mm? -102.43 96.73 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 109.66 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 173.32 -30.95 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 79.68 60.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 3.0 mm? -86.47 -175.97 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.44 44.22 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -128.78 -74.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -70.69 61.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.6 p -100.15 140.83 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.586 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 50.4 mtt180 65.44 87.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -165.87 67.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -179.72 -42.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.742 ' CZ2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -109.98 -22.18 11.96 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.87 -72.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.59 -44.64 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -62.37 -52.74 62.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.32 56.49 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 3.0 t-20 -165.56 64.67 0.99 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.0 -157.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' PRO . 29.6 tt0 37.32 90.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.915 HG22 ' HB ' ' A' ' 63' ' ' THR . 4.2 t -73.39 -14.55 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER 61.21 138.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -27.65 59.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -45.5 -41.59 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p -164.25 170.44 16.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 22.5 m95 -65.16 -176.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.915 ' HB ' HG22 ' A' ' 57' ' ' VAL . 7.5 m -157.38 -133.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 mt-10 -95.05 -77.05 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -40.09 -66.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.771 ' CD ' HD22 ' A' ' 88' ' ' LEU . 1.5 mt-10 -46.78 -29.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 6.6 t0 -63.82 -59.24 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' GLU . 53.1 mtp180 -57.64 -54.48 46.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ARG . 96.9 mt -38.8 -50.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.786 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -55.86 -69.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -50.38 -20.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -77.17 -44.2 31.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.589 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -73.7 -35.89 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.744 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.8 t-80 -65.83 -14.39 61.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -103.66 16.31 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 72' ' ' GLU . 6.5 t -125.88 -41.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.614 HD22 ' HG2' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -113.27 -77.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.744 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.99 -123.7 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 21.46 3.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.54 56.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.684 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.2 m95 -51.54 -34.62 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 108.032 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.76 -26.61 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.614 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -110.41 -19.73 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.681 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -69.62 -47.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -62.61 -24.89 67.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.09 1.22 24.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.771 HD22 ' CD ' ' A' ' 66' ' ' GLU . 25.3 mt -113.28 160.79 30.0 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.34 11.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -170.04 -135.34 1.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 90' ' ' GLY . 18.3 mmt180 55.35 165.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -119.89 -177.47 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -72.33 -43.67 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -14.25 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.42 -63.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 70' ' ' ILE . 57.6 t -59.89 -51.64 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 9.7 ttpp -43.43 -56.71 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -62.17 -36.76 82.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 1.073 ' CD2' HD11 ' A' ' 104' ' ' ILE . 9.6 t60 -61.2 -25.79 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.928 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.6 OUTLIER -64.8 -45.48 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.511 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 54.4 m-80 -89.96 1.47 56.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.527 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 28.8 t -75.39 -84.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.14 -7.13 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.073 HD11 ' CD2' ' A' ' 99' ' ' HIS . 7.3 mt -87.27 38.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 21.3 mmtt -112.4 -167.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -95.05 -80.81 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 59.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -118.61 -51.62 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.502 ' N ' HG12 ' A' ' 108' ' ' VAL . 8.6 t70 36.67 62.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.835 ' CD1' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -75.46 177.85 2.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 2' ' ' ILE . 18.3 Cg_endo -75.01 -159.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 5' ' ' LEU . 22.9 t0 -62.09 167.41 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.782 HD21 ' HA3' ' A' ' 39' ' ' GLY . 0.3 OUTLIER 50.49 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.835 HG13 ' CD1' ' A' ' 2' ' ' ILE . 2.7 t -121.72 -143.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.71 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 38.39 28.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.51 78.59 0.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.64 7.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.591 ' CZ3' HD23 ' A' ' 37' ' ' LEU . 7.6 m0 -72.34 148.8 44.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.9 p -135.36 -167.79 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -40.32 -58.91 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -41.34 -56.97 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.7 mp0 -52.83 -44.92 67.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -62.2 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.571 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -53.93 -23.21 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.8 tttm -69.76 -53.46 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.867 HG13 HG13 ' A' ' 33' ' ' ILE . 2.2 t -45.77 -49.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.593 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -58.47 -37.7 65.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -76.65 -15.64 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -85.1 -59.95 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.763 HG22 HD11 ' A' ' 33' ' ' ILE . 2.7 t -57.49 -24.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -73.19 -56.16 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -68.73 -20.8 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.713 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.9 m-30 -85.11 -58.6 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.22 96.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.582 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -178.45 -59.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.582 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 166.58 54.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.558 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 31.3 mt-30 -120.28 97.15 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.745 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.5 m95 -113.91 -7.65 13.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.997 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -76.13 -39.98 53.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -52.97 -51.63 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.867 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -43.09 -47.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.62 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.5 ttpt -74.02 -37.89 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.5 m-70 -84.48 -59.3 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.591 HD23 ' CZ3' ' A' ' 10' ' ' TRP . 1.3 mt -87.88 76.41 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.94 -163.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.782 ' HA3' HD21 ' A' ' 5' ' ' LEU . . . 87.5 -33.68 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -174.9 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.2 mm? -69.95 141.34 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -35.72 129.76 0.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' GLN . 4.5 tptp -44.42 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.1 mp0 38.55 77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 26.6 p -48.47 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.621 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 6.0 mtp180 77.53 117.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' NE2' ' A' ' 52' ' ' HIS . 0.6 OUTLIER 165.6 -29.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.612 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -71.88 -42.45 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -110.1 -23.35 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -40.51 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.421 ' C ' ' CD2' ' A' ' 52' ' ' HIS . 2.7 m120 -107.97 -160.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 23.1 m-70 80.32 -49.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.576 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.86 79.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 176.47 69.94 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -157.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.54 151.61 40.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 t -114.69 -11.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 176.51 -168.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -74.0 58.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.9 OUTLIER -140.84 -99.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.5 OUTLIER 160.73 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 91' ' ' ARG . 80.6 m95 -101.69 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 p -138.22 -167.75 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' ASP . 9.8 mt-10 -74.23 -73.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.6 mt-10 -46.02 -42.23 13.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.485 ' OE1' HD13 ' A' ' 88' ' ' LEU . 6.9 mt-10 -60.56 -23.17 64.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -78.88 -62.47 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 10.6 ptp180 -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.775 HG21 HD11 ' A' ' 87' ' ' LEU . 31.4 mt -56.52 -76.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 39.1 mt -43.13 -45.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 3.7 t80 -48.34 -36.36 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 1.013 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.6 pt-20 -97.33 -34.55 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.662 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -54.33 -19.29 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.915 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 7.6 t-80 -87.15 -21.73 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -99.12 11.77 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.9 t -115.09 -18.35 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 -61.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.721 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 146.51 -65.48 0.42 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -158.09 24.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -70.87 60.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.915 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 19.0 m95 -51.75 -36.0 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.91 60.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' ARG . 17.6 mm-40 -104.28 -27.13 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.966 ' CG2' HG11 ' A' ' 96' ' ' VAL . 6.1 mm -61.89 -40.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -75.01 -26.89 59.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 7.2 mttt -56.68 -40.66 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.775 HD11 HG21 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -74.62 -2.94 28.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.485 HD13 ' OE1' ' A' ' 66' ' ' GLU . 81.9 mt -117.88 161.53 33.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.97 3.28 5.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.538 1.809 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.97 -133.4 2.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.996 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 58.8 mmt-85 73.0 2.69 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.865 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 80.7 p 36.74 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -27.19 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.16 -16.92 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.996 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -89.52 -56.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.966 HG11 ' CG2' ' A' ' 84' ' ' ILE . 61.8 t -54.81 -52.68 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -51.13 -55.81 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.7 t-20 -59.86 -54.18 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.962 ' CE1' HD11 ' A' ' 104' ' ' ILE . 14.8 t-160 -43.62 -28.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.828 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 3.4 t-105 -61.78 -68.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.005 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.2 m-80 -70.41 -4.14 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.531 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.3 t -71.34 -78.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.87 -12.65 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.962 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.8 mt -91.62 34.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 2.5 mmmt -144.94 103.75 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -40.84 97.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.8 55.41 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.51 -49.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -155.09 80.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.775 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.6 pp -126.05 143.53 45.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.98 1.58 7.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 5' ' ' LEU . 7.2 t70 -97.12 66.36 2.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.56 HD22 ' HA2' ' A' ' 39' ' ' GLY . 0.4 OUTLIER 48.76 102.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.783 HG12 ' N ' ' A' ' 7' ' ' LYS . 32.4 t -82.88 -100.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.783 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -101.1 26.88 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.583 ' H ' ' HD3' ' A' ' 9' ' ' PRO . . . 99.1 64.66 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.583 ' HD3' ' H ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.0 138.82 23.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.08 ' CE3' HD22 ' A' ' 37' ' ' LEU . 28.4 m95 -112.7 -85.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.038 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.1 p 69.76 157.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttp -32.52 -38.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.63 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 2.3 tt0 -54.66 -28.81 49.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.768 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -67.86 -44.76 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.605 ' O ' HD13 ' A' ' 19' ' ' ILE . 12.9 m-20 -70.35 -65.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.95 -24.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.963 ' C ' HD12 ' A' ' 21' ' ' LEU . 9.7 mttt -71.94 -81.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.887 HG22 ' HA ' ' A' ' 33' ' ' ILE . 49.8 t -48.76 -23.22 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.631 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -76.73 -76.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.04 -13.9 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.963 HD12 ' C ' ' A' ' 17' ' ' LYS . 20.9 mt -84.1 -78.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 33' ' ' ILE . 55.9 t -42.24 -26.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.7 mmtp -71.62 -54.2 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -75.83 -11.47 59.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 26' ' ' GLY . 2.8 m-85 -96.44 -59.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.24 99.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -178.04 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.661 ' H ' HG23 ' A' ' 27' ' ' THR . 5.6 tmtt? 166.62 41.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -104.63 73.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.811 ' HA ' HD13 ' A' ' 33' ' ' ILE . 76.0 m95 -70.17 -18.82 63.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -65.97 -29.27 69.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.017 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.36 -20.6 64.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.887 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.0 mp -78.03 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.619 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . . . -66.35 -32.39 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' THR . 5.2 ttmm -64.84 -35.41 81.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.708 ' CE1' HD22 ' A' ' 32' ' ' LEU . 1.2 m80 -102.39 29.08 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.08 HD22 ' CE3' ' A' ' 10' ' ' TRP . 46.2 mt -153.25 133.39 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 81.47 164.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.56 ' HA2' HD22 ' A' ' 5' ' ' LEU . . . -49.06 -22.29 3.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.3 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.614 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.2 mm? -64.32 -104.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' HA3' ' HA ' ' A' ' 34' ' ' ALA . . . 103.04 23.05 8.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -38.14 -32.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mt-30 -71.11 80.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 60.9 m -111.76 -175.44 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 30' ' ' TRP . 55.5 mtt180 38.13 51.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.24 49.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 6.0 tpm_? -150.09 -47.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.61 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -115.64 -36.65 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.143 . . . . 0.0 108.037 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -51.22 -58.47 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -107.56 58.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -118.49 -35.8 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.596 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.68 84.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.558 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -76.55 -49.41 2.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 54' ' ' ASN . 18.3 Cg_endo -74.95 -157.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.544 1.813 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 55' ' ' PRO . 30.4 tt0 45.38 95.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.41 -22.22 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 176.7 137.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.3 OUTLIER -75.85 113.95 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 84.18 58.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 3.8 p 178.29 -151.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.611 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 60.5 m95 -64.23 173.49 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.1 p -131.28 -155.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.5 mm-40 -81.78 -82.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -34.6 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 31.7 mt-10 -64.17 -37.46 87.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t0 -66.57 -52.02 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -55.84 -60.52 3.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.6 mt -36.6 -49.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.447 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -52.98 -62.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 4.7 t80 -62.74 -14.99 51.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.537 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -87.71 -12.61 44.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.702 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -109.18 -33.61 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.825 ' CE1' ' CH2' ' A' ' 81' ' ' TRP . 17.2 t60 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 14.95 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.7 t -121.16 -40.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -114.78 -73.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.545 ' O ' ' ND1' ' A' ' 74' ' ' HIS . . . 157.99 -122.81 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.17 23.84 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 57.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.825 ' CH2' ' CE1' ' A' ' 74' ' ' HIS . 13.7 m95 -52.67 -36.3 56.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.38 -22.47 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.461 ' O ' HD13 ' A' ' 87' ' ' LEU . 25.1 mm-40 -102.59 -30.54 10.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.839 HG21 HG11 ' A' ' 96' ' ' VAL . 4.6 mm -59.61 -48.78 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -64.15 -34.06 77.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 4.5 mmtp -56.66 -37.99 71.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 83' ' ' GLU . 9.2 mp -74.51 -14.53 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.423 ' CD2' HG21 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -94.99 166.19 15.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 2.83 6.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.23 104.95 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.878 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 1.2 mmt180 -154.17 22.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.801 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 6.4 p 45.69 -174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -98.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.34 -30.21 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.878 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -67.7 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.839 HG11 HG21 ' A' ' 84' ' ' ILE . 89.1 t -53.39 -54.69 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.65 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -43.35 -64.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.9 t-20 -56.92 -51.67 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.991 ' CD2' HD11 ' A' ' 104' ' ' ILE . 6.0 t60 -44.82 -26.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.882 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.6 t-105 -63.81 -69.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.448 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.9 m-80 -67.82 -4.85 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 66.9 m -71.3 -79.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -122.39 -13.58 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.991 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.9 mt -92.05 35.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.627 ' O ' HG22 ' A' ' 108' ' ' VAL . 5.0 mmtt -150.02 72.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.601 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -64.85 -58.66 5.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 84.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER -98.35 -50.25 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.46 32.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 110' ' ' THR . 4.0 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.948 ' O ' HD12 ' A' ' 2' ' ' ILE . 1.8 pp -119.99 139.58 28.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 2' ' ' ILE . 18.3 Cg_endo -75.03 5.0 4.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.521 ' O ' ' O ' ' A' ' 5' ' ' LEU . 3.0 t70 -104.73 72.87 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.82 HD22 ' HA3' ' A' ' 39' ' ' GLY . 0.2 OUTLIER 44.37 100.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.823 ' HA ' HD11 ' A' ' 2' ' ' ILE . 98.6 t -69.74 -105.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.591 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -84.01 35.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.686 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 79.67 47.85 7.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.77 ' C ' HG23 ' A' ' 11' ' ' THR . 11.8 m95 -115.93 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.2 p 70.11 -166.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -73.22 -18.59 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.64 -62.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.866 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -52.46 -22.09 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.618 ' O ' HD13 ' A' ' 19' ' ' ILE . 14.2 m-20 -89.95 -22.7 21.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -81.57 -26.51 34.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -82.43 -54.44 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.793 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.2 t -57.09 -29.98 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.63 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -72.82 -66.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HA ' ' CG ' ' A' ' 23' ' ' LYS . 3.0 tt0 -51.84 -20.17 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.626 HD13 HD13 ' A' ' 32' ' ' LEU . 10.4 mt -86.88 -50.75 6.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.831 ' CG1' HG23 ' A' ' 27' ' ' THR . 2.4 t -56.1 -38.85 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -73.19 -38.24 66.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -72.73 -21.8 60.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.881 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -94.61 -50.54 5.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 126.42 1.27 7.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.831 HG23 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 75.28 53.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 0.77 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -128.58 -62.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.56 78.27 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CE3' HD13 ' A' ' 33' ' ' ILE . 54.3 m95 -63.36 -14.64 52.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.15 70.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.881 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -50.63 -49.08 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.793 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.1 mp -52.32 -38.67 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.82 ' HB2' ' O ' ' A' ' 42' ' ' GLY . . . -97.47 12.76 32.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.68 -40.85 3.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.763 ' O ' HD23 ' A' ' 37' ' ' LEU . 8.4 m-70 -83.47 -16.43 45.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.866 HD22 ' HG3' ' A' ' 14' ' ' GLU . 5.9 mt -125.78 69.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -86.29 44.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.82 ' HA3' HD22 ' A' ' 5' ' ' LEU . . . -84.42 -32.24 22.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 ttt180 -170.83 78.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.554 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.29 97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.82 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -82.27 41.5 2.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -67.95 -23.42 65.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.05 77.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' LYS . 23.3 p -79.76 167.05 21.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' CYS . 75.4 mtm180 36.22 90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 33.5 tt0 -162.77 133.62 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 7.9 mmt85 66.2 19.39 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.63 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 1.2 t90 -140.27 -48.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER -98.46 -88.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -34.59 -38.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' HIS . 12.1 t-80 -43.01 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.583 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.414 ' CB ' ' O ' ' A' ' 52' ' ' HIS . 0.9 OUTLIER 170.41 -82.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 47.33 65.05 7.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -157.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.21 55.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 57' ' ' VAL . 3.7 t -102.14 0.51 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.61 -175.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 124.31 27.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 61' ' ' SER . 3.9 p 178.0 -104.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 60' ' ' SER . 8.5 t 165.09 38.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.607 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 76.9 m95 -103.87 -170.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 108.04 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -137.99 -159.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.3 mt-10 -79.65 -77.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.81 -33.17 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.8 -34.85 78.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.5 t70 -69.87 -55.39 9.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ILE . 8.0 mtp180 -59.17 -61.77 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 72' ' ' GLU . 74.6 mt -39.77 -73.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 96' ' ' VAL . 35.8 mt -45.8 -53.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 3.7 t80 -54.4 -14.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -104.75 -43.95 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.575 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -49.97 -40.77 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.786 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.4 t-80 -61.77 -13.22 21.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.553 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.96 15.64 28.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.485 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -120.64 -39.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.786 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.92 -125.94 1.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.09 24.09 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 56.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.754 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.4 m95 -52.15 -36.45 51.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.82 -27.35 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.65 -34.83 10.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.008 HG21 HG11 ' A' ' 96' ' ' VAL . 5.2 mm -54.0 -52.17 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -62.84 -48.88 77.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -48.99 -27.59 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -36.21 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ALA . 20.4 mt -114.24 108.67 49.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 118.26 5.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.465 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . 144.56 -35.06 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 68.3 mmt-85 -120.08 157.02 29.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 0.744 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 20.1 p -103.84 -172.29 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -65.35 -65.42 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -29.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -69.5 -64.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.008 HG11 HG21 ' A' ' 84' ' ' ILE . 55.5 t -56.99 -56.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.61 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.1 ttpp -39.61 -58.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.6 t-20 -60.56 -39.81 89.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.607 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.2 t60 -55.15 -17.8 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.699 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -73.08 -49.44 28.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.428 ' HA ' ' HG2' ' A' ' 105' ' ' LYS . 58.8 m-80 -87.92 -5.6 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.516 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 48.7 m -71.7 -79.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -129.96 -10.64 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.699 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 2.2 mm -90.51 31.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER -124.66 39.99 3.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -61.8 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -70.82 98.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 107' ' ' LYS . 1.0 OUTLIER -160.25 -54.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -153.81 80.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.492 ' O ' ' CG2' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 1.161 ' CD1' HG22 ' A' ' 6' ' ' VAL . 2.2 pp -155.75 170.81 8.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.94 ' O ' HD12 ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.05 -153.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -75.96 145.04 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.758 HD23 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER 56.86 104.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 1.161 HG22 ' CD1' ' A' ' 2' ' ' ILE . 7.5 t -86.67 93.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.83 19.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 95.01 83.97 1.64 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.758 ' HD2' HD23 ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.99 111.22 3.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.768 ' CH2' HD12 ' A' ' 37' ' ' LEU . 9.7 m0 -113.55 165.78 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.485 HG23 ' C ' ' A' ' 10' ' ' TRP . 71.3 p -154.71 172.94 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.8 tttt -39.81 -32.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.35 -51.05 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.858 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -54.1 -19.6 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.672 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -92.47 -28.55 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 4.6 pt20 -78.57 -30.15 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.17 -54.27 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.788 HG22 HG13 ' A' ' 33' ' ' ILE . 2.6 t -58.12 -24.37 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.693 HG22 ' N ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -71.91 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.693 ' N ' HG22 ' A' ' 19' ' ' ILE . 5.7 pt-20 -49.65 -22.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.716 ' HB3' HD13 ' A' ' 32' ' ' LEU . 33.0 mt -78.03 -61.7 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.76 ' CG2' HD11 ' A' ' 33' ' ' ILE . 2.6 t -56.16 -18.73 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -77.72 -51.28 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -19.22 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.902 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -93.71 -53.71 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.95 ' O ' HG23 ' A' ' 27' ' ' THR . . . 142.24 -99.9 0.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.95 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -178.37 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 0.807 . . . . 0.0 110.355 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.26 19.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 31' ' ' THR . 33.8 mt-30 -125.17 60.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.796 ' HA ' HD13 ' A' ' 33' ' ' ILE . 12.1 m95 -54.99 -19.65 7.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.041 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -56.49 -47.54 79.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.902 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -54.38 -19.59 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.796 HD13 ' HA ' ' A' ' 30' ' ' TRP . 4.6 mp -90.14 -43.64 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.584 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -94.73 19.96 9.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 31' ' ' THR . 3.5 ttmm -122.06 -40.07 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.552 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 1.1 m80 -82.93 -8.53 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.858 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -136.65 95.41 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.73 77.56 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' HD22 ' A' ' 5' ' ' LEU . . . -152.54 -39.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' HB2' ' NE1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -127.81 -170.48 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.7 -173.5 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -148.69 84.65 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' N ' ' CZ3' ' A' ' 30' ' ' TRP . 7.2 tmtt? -169.3 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -96.46 85.45 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -163.52 -89.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.694 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -81.85 81.61 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.76 -49.94 7.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.3 44.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 10.9 t90 -155.92 -47.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.584 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -113.35 48.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.4 m170 -124.17 -85.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.642 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mt 56.06 -91.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' HIS . 7.1 t-20 59.87 67.14 1.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -157.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.46 114.46 14.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.759 HG11 ' HB2' ' A' ' 62' ' ' TRP . 2.4 t -90.77 19.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.36 153.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 61' ' ' SER . 3.5 mptt -66.01 -71.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.412 ' C ' ' OG ' ' A' ' 61' ' ' SER . 0.5 OUTLIER -67.81 67.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -178.99 -161.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.999 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.759 ' HB2' HG11 ' A' ' 57' ' ' VAL . 43.2 m95 -63.67 177.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 p -141.93 -155.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mt-10 -81.25 -83.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -25.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.478 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 6.7 mt-10 -72.11 -44.73 62.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLU . 7.8 t0 -60.37 -50.59 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ILE . 22.0 mmm180 -54.38 -65.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' ARG . 68.8 mt -36.66 -43.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -61.68 -70.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -45.47 -26.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 mt-10 -78.81 -73.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.41 -25.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.763 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.1 t-80 -67.05 -46.2 75.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.565 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.9 pttt -82.41 6.04 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.4 t -114.87 -13.93 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD12 ' CD1' ' A' ' 84' ' ' ILE . 1.6 mt -127.85 -48.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.5 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 97.12 95.07 1.89 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.514 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 44.02 22.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.24 49.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.763 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 8.9 m95 -45.61 -34.38 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 108.024 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.88 -23.66 19.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ARG . 14.3 mm-40 -115.76 -45.99 2.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.803 HG21 HG11 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -42.62 -33.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.832 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -79.5 -44.04 22.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' GLU . 12.0 mtpt -50.92 -24.21 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -35.82 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.451 HD11 HG22 ' A' ' 69' ' ' ILE . 6.3 mp -107.42 114.96 60.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.58 5.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.89 1.93 23.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.832 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 14.4 mmt180 -132.83 125.67 30.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.2 p -88.29 -174.48 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 12.8 p-10 -72.56 -31.12 65.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -17.06 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -61.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.803 HG11 HG21 ' A' ' 84' ' ' ILE . 42.4 t -65.21 -59.78 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 12.0 ttpp -34.52 -43.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 0.7 OUTLIER -73.55 -58.15 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 1.03 ' CE1' HD11 ' A' ' 104' ' ' ILE . 14.5 t-160 -44.84 -27.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.783 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 4.0 t-105 -63.34 -68.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.2 m-80 -69.75 -3.55 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 71.1 m -72.17 -81.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -121.69 -13.05 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.03 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.5 mt -91.81 34.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.1 mmmt -150.13 117.72 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -69.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 3.1 tttt -69.56 77.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 t -152.1 -47.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -152.95 77.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.486 ' C ' ' CG1' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.486 ' CG1' ' C ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -174.31 171.24 1.5 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.77 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.526 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.99 -168.96 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.769 . . . . 0.0 111.057 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.8 ' O ' HD12 ' A' ' 5' ' ' LEU . 13.4 t0 -64.93 178.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.8 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 84.84 15.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.562 HG12 ' H ' ' A' ' 7' ' ' LYS . 3.7 t -95.77 -133.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.44 29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.94 79.55 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.93 18.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.666 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.1 m0 -85.07 157.53 20.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 14' ' ' GLU . 31.7 p -147.66 -164.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -39.27 -54.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -44.76 -40.57 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.93 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.5 -48.03 80.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.505 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -61.19 -43.82 98.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -55.49 -21.61 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -70.83 -58.78 3.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.838 HG13 HG13 ' A' ' 33' ' ' ILE . 41.8 t -44.59 -32.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.63 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -71.12 -51.7 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -25.53 67.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -74.44 -63.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.819 HG22 HD11 ' A' ' 33' ' ' ILE . 77.3 t -47.85 -21.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -75.62 -47.13 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -3.54 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 3.2 m-85 -108.53 -53.55 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.93 ' O ' HG23 ' A' ' 27' ' ' THR . . . 117.11 -92.63 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -179.89 36.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.791 . . . . 0.0 110.426 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -34.72 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 32' ' ' LEU . 22.9 mt-30 -109.61 70.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.414 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 58.3 m95 -62.9 -11.6 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.575 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.18 -43.52 77.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.928 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -52.27 -25.62 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.838 HG13 HG13 ' A' ' 18' ' ' VAL . 1.9 mp -75.21 -42.81 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.46 16.82 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -116.37 -24.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.635 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -89.73 -49.35 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.93 HD22 ' HG3' ' A' ' 14' ' ' GLU . 3.4 mt -83.96 80.76 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -74.5 -165.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.63 -51.86 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.6 -175.88 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.18 177.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.37 -122.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.67 72.23 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 65.28 100.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.0 p -79.91 121.44 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 63.29 88.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -171.17 44.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.42 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.48 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.57 -31.57 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.032 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.85 -42.27 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -111.62 90.69 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.2 -63.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.623 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.9 93.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 4.8 t-20 -168.62 64.91 0.62 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 18.2 Cg_endo -75.0 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.05 -171.56 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.45 HG23 ' HG2' ' A' ' 64' ' ' GLU . 2.1 t -65.93 -43.2 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 59' ' ' LYS . 17.8 ttpt -179.16 76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 35.44 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.6 ' O ' ' CB ' ' A' ' 61' ' ' SER . 59.6 p -44.06 169.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.6 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.5 m 94.15 -147.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.706 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 45.1 m95 -61.02 172.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.0 p -134.5 -156.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mm-40 -78.37 -81.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.05 -37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 20.7 mt-10 -61.98 -41.03 97.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -59.37 -54.79 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.2 mmp_? -54.92 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 68' ' ' ARG . 84.6 mt -33.78 -50.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 84' ' ' ILE . 1.0 OUTLIER -54.31 -65.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 1.9 t80 -61.08 -13.16 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -94.18 -12.95 27.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.62 ' CB ' HD13 ' A' ' 84' ' ' ILE . . . -111.83 -18.06 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.864 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 30.1 t-80 -76.0 -24.4 55.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 11.7 33.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -112.33 -24.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -122.15 -60.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.646 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.3 -54.92 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -161.34 24.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.434 ' CG ' ' HG3' ' A' ' 83' ' ' GLU . 3.2 mpt_? -71.87 61.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.864 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 15.6 m95 -55.17 -37.13 66.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.12 -16.51 13.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 3.6 mt-10 -109.83 -40.59 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.841 HG21 HG11 ' A' ' 96' ' ' VAL . 5.7 mm -47.24 -40.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.56 -38.11 88.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 38.0 mttt -50.53 -21.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.66 -31.0 18.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.4 mm? -93.65 159.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 83.11 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.9 98.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.575 ' HD2' ' CH2' ' A' ' 62' ' ' TRP . 30.2 mmt180 -146.2 16.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' ARG . 22.4 p 36.65 -105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.95 -46.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.75 -14.99 24.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -74.94 -67.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 84' ' ' ILE . 92.9 t -56.39 -58.96 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.8 ttpp -38.44 -59.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.64 -40.13 86.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.82 ' NE2' HD11 ' A' ' 104' ' ' ILE . 3.4 t60 -59.48 -25.16 64.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.983 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.6 t-105 -66.81 -47.93 70.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.031 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 58.9 m-80 -87.83 1.19 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.529 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 47.7 m -76.7 -77.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.21 -8.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.983 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.1 mt -98.14 39.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.536 ' C ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -129.45 47.79 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -79.01 -60.84 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -64.71 79.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 106' ' ' ARG . 2.1 t -150.29 -48.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.58 38.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.494 ' C ' ' CG1' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.54 HD13 HG21 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -174.81 145.92 0.96 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 2' ' ' ILE . 18.3 Cg_endo -75.01 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.54 ' O ' ' O ' ' A' ' 5' ' ' LEU . 46.2 t0 -70.61 136.84 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.655 HD13 ' C ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER 41.99 99.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.808 HG12 ' N ' ' A' ' 7' ' ' LYS . 24.2 t -71.52 -99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.808 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.0 34.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.0 49.33 7.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.656 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.678 ' CZ3' HD13 ' A' ' 37' ' ' LEU . 10.6 m0 -113.17 164.97 12.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.4 p -153.03 170.85 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 3.5 tttt -42.56 -32.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.649 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.92 -44.87 94.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.602 ' HB3' HD22 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -56.57 -40.21 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.459 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.2 m-20 -73.86 -68.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.649 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.47 -24.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 21' ' ' LEU . 16.2 mttt -70.35 -80.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.101 HG21 HD11 ' A' ' 37' ' ' LEU . 39.2 t -41.88 -26.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.674 HG22 ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -72.53 -82.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.674 ' N ' HG22 ' A' ' 19' ' ' ILE . 4.0 mt-10 -52.64 -18.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.964 HD13 HD13 ' A' ' 32' ' ' LEU . 77.9 mt -76.52 -65.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 26' ' ' GLY . 2.1 t -49.57 -24.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -34.64 50.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 21' ' ' LEU . 4.1 ttpt -93.85 -5.38 48.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.993 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.0 m-85 -111.43 -52.3 2.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 27' ' ' THR . . . 120.78 -106.68 1.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.14 54.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.392 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.27 -40.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.726 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 2.3 mt-30 -74.83 -66.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 46' ' ' ARG . 37.5 m95 68.64 -0.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -76.3 -39.06 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.993 HD23 ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -52.46 -46.97 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.754 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.6 mp -54.46 -38.09 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.497 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . -94.68 10.48 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -117.91 -42.23 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.821 ' O ' HD23 ' A' ' 37' ' ' LEU . 7.7 m-70 -84.22 1.86 42.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.101 HD11 HG21 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -141.05 142.75 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.655 ' C ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 79.8 139.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.48 0.18 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -170.03 -52.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 3.3 mm? -63.89 -169.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.497 ' HA3' ' CB ' ' A' ' 34' ' ' ALA . . . -172.67 30.94 0.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.89 -29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.8 tt0 -82.89 56.45 3.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -89.55 164.08 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.57 ' HG2' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 36.32 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.64 54.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -154.5 -44.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -121.53 -8.0 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -80.77 -54.48 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -108.02 78.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.474 ' CE1' ' HA ' ' A' ' 48' ' ' ARG . 33.3 m80 -149.86 -59.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.93 -76.44 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 41.44 71.97 1.19 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -157.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.637 ' OE1' HG22 ' A' ' 63' ' ' THR . 1.3 tt0 -139.44 -171.44 3.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.2 t -78.88 -5.41 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 3.9 mttt 165.91 165.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -6.51 44.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 p -161.8 73.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 2.1 p 179.09 -150.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.581 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 71.8 m95 -62.8 175.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.637 HG22 ' OE1' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -130.77 -166.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mt-10 -75.13 -79.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.43 -33.21 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.8 mt-10 -66.64 -40.98 88.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 10.5 t0 -60.34 -53.16 60.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ILE . 28.1 mmm-85 -54.87 -61.73 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' ARG . 68.6 mt -37.67 -43.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -63.36 -68.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -49.47 -20.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.705 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -82.05 -69.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.673 ' HB3' HD13 ' A' ' 84' ' ' ILE . . . -48.39 -37.85 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 32.0 t-80 -59.12 -29.37 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.571 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.5 pttt -93.62 11.03 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 72' ' ' GLU . 12.5 t -117.9 -20.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.593 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -123.77 -63.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.609 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.8 -57.62 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.78 23.91 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.85 59.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -52.91 -36.21 59.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.85 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.593 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -105.26 -30.12 9.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.009 HG21 HG11 ' A' ' 96' ' ' VAL . 8.2 mm -54.35 -49.1 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.85 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -62.78 -35.65 80.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.18 -18.85 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.994 ' O ' HD23 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -93.23 16.69 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -138.11 179.34 1.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.49 112.91 1.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.898 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -153.12 21.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.322 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.85 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 25.0 p 43.3 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.11 -46.67 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.8 OUTLIER -50.83 -32.64 20.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -66.59 -64.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.009 HG11 HG21 ' A' ' 84' ' ' ILE . 73.9 t -54.95 -62.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.3 ttpp -38.24 -58.08 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 94' ' ' ASN . 18.5 t-20 -58.15 -54.56 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.993 ' CE1' HD11 ' A' ' 104' ' ' ILE . 15.6 t-160 -44.9 -26.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.825 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.6 t-105 -64.23 -68.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.96 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.46 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.4 m-80 -69.23 -3.43 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.4 m -72.4 -80.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.09 -13.37 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.993 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.7 mt -90.29 30.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.4 OUTLIER -148.1 118.49 7.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -79.61 -65.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.78 67.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -149.84 -52.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.443 ' N ' HG12 ' A' ' 108' ' ' VAL . 17.4 t70 -154.22 73.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 179.984 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 1.051 HD11 HG22 ' A' ' 6' ' ' VAL . 1.4 pp -151.1 120.85 3.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.38 7.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.569 ' N ' HD12 ' A' ' 2' ' ' ILE . 0.8 OUTLIER -82.85 -170.38 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.65 132.35 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 1.051 HG22 HD11 ' A' ' 2' ' ' ILE . 4.9 t -132.03 -43.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 6.69 10.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 179.26 61.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.01 165.47 31.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.225 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.9 m0 -53.5 150.13 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' LYS . 43.9 p -133.7 -166.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -37.37 -60.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -41.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.617 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -51.33 -37.76 49.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 14.6 m-20 -64.06 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -60.74 -31.51 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 27.9 tttt -68.58 -46.16 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.963 HG13 HG13 ' A' ' 33' ' ' ILE . 2.1 t -49.1 -53.62 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.629 HD12 HG12 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -55.26 -33.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -20.33 63.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 32' ' ' LEU . 1.3 mt -83.72 -63.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.797 ' CG2' HD11 ' A' ' 33' ' ' ILE . 3.9 t -48.75 -24.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 -63.5 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -12.71 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.856 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.3 m-30 -94.72 -56.16 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.727 ' C ' HG22 ' A' ' 27' ' ' THR . . . 51.19 102.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.727 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.6 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.383 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' H ' HG23 ' A' ' 27' ' ' THR . 2.9 ttmt -179.82 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 33' ' ' ILE . 3.1 mt-30 40.39 42.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.734 ' HA ' HD13 ' A' ' 33' ' ' ILE . 28.6 m95 -64.64 -13.24 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -78.97 -42.42 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.856 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -54.04 -53.85 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.963 HG13 HG13 ' A' ' 18' ' ' VAL . 4.4 mp -38.79 -72.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 42' ' ' GLY . . . -60.18 -57.91 10.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -42.42 -27.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.714 ' C ' HD23 ' A' ' 37' ' ' LEU . 18.9 m80 -86.37 -52.94 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.225 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -102.22 98.72 8.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -106.29 -168.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.87 ' HA2' HD13 ' A' ' 2' ' ' ILE . . . 74.0 26.26 69.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER 170.92 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.271 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.502 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 32.7 93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.694 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -68.72 55.73 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -125.5 -138.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' LYS . 6.6 tm0? 34.42 35.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -113.05 -36.21 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -34.08 -40.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.2 60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.73 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.613 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.94 -15.43 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.03 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.15 -31.04 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 109.57 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -109.53 62.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -141.63 -82.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.603 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.51 98.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' HIS . 4.5 t-20 173.85 104.08 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -157.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -151.47 162.76 40.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 62' ' ' TRP . 25.6 t -81.41 4.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -167.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 71.07 47.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 84.15 154.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.8 OUTLIER 80.91 -157.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.65 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 52.2 m95 -63.39 172.39 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 78.0 p -132.97 -158.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.7 mm-40 -77.76 -79.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -40.62 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 1.3 mm-40 -60.55 -37.63 81.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.2 t70 -62.29 -50.92 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.8 mmp_? -60.76 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.027 HG21 HD11 ' A' ' 88' ' ' LEU . 81.2 mt -36.77 -50.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.725 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -55.07 -65.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -47.67 -31.48 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.958 ' O ' HG23 ' A' ' 76' ' ' VAL . 7.6 mt-10 -70.03 -63.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.984 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -53.27 -27.31 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.723 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.1 t-80 -77.02 -23.38 52.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -97.37 12.02 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.0 t -118.72 -33.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -121.42 -76.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.723 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.45 -123.77 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 21.92 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.02 56.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 14.8 m95 -50.94 -33.97 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.997 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.06 71.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 87' ' ' LEU . 4.2 mm-40 -106.57 -9.65 16.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.758 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -82.09 -42.17 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -79.41 -32.68 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -70.66 -6.98 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.673 HD13 ' HB1' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -75.08 -9.86 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.027 HD11 HG21 ' A' ' 69' ' ' ILE . 11.5 mt -144.55 151.01 49.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 84.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . 141.8 152.44 5.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.65 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 1.7 mpp_? 75.2 137.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -99.71 -168.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.359 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -48.94 22.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -14.89 24.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB1' ' HG3' ' A' ' 91' ' ' ARG . . . -77.74 -65.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.758 HG11 ' CG2' ' A' ' 84' ' ' ILE . 57.6 t -60.55 -50.2 81.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.634 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 10.4 ttpp -40.85 -61.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.489 ' C ' ' HG ' ' A' ' 102' ' ' SER . 0.5 OUTLIER -58.3 -53.32 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 1.007 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.9 t60 -44.58 -27.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 3.1 t-105 -63.17 -69.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.473 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.7 m-80 -68.93 -4.08 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.3 m -72.03 -81.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 -13.8 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.007 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.6 mt -91.69 34.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.3 OUTLIER -150.85 81.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -41.86 97.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -83.57 71.77 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' ASP . 1.0 OUTLIER -155.69 -47.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' VAL . 10.1 t70 38.26 66.37 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.995 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.866 HD13 ' O ' ' A' ' 4' ' ' ASP . 0.8 OUTLIER -110.44 146.34 34.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 2.38 6.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.866 ' O ' HD13 ' A' ' 2' ' ' ILE . 18.0 t0 -129.89 158.32 39.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 71.3 11.89 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 7' ' ' LYS . 6.5 t -113.76 -133.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.678 ' H ' HG12 ' A' ' 6' ' ' VAL . 3.8 mmmt 37.79 30.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 126.59 79.08 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.59 ' HE3' HD23 ' A' ' 37' ' ' LEU . 10.0 m95 -72.1 133.02 44.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 54.4 p -120.54 -163.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -61.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -44.07 -41.17 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 10' ' ' TRP . 2.0 mp0 -67.16 -43.84 81.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -61.51 -60.21 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -45.47 -25.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.759 ' HD3' HD11 ' A' ' 21' ' ' LEU . 1.2 tttm -64.15 -56.68 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.937 HG13 HG13 ' A' ' 33' ' ' ILE . 2.6 t -43.72 -53.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.782 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -56.7 -33.46 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LYS . 2.2 tt0 -82.82 -16.18 48.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.759 HD11 ' HD3' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -83.48 -45.84 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 18' ' ' VAL . 2.5 t -67.31 -33.83 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -36.14 71.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.69 -26.71 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.704 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 4.2 m-30 -84.69 -55.14 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.716 ' C ' HG22 ' A' ' 27' ' ' THR . . . 56.7 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.716 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.96 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.436 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.536 ' H ' HG23 ' A' ' 27' ' ' THR . 0.2 OUTLIER 177.12 -80.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 33' ' ' ILE . 5.8 mt-30 40.28 49.04 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.649 ' HA ' HD13 ' A' ' 33' ' ' ILE . 24.6 m95 -68.88 -8.74 46.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.04 -37.92 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.78 -55.71 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.937 HG13 HG13 ' A' ' 18' ' ' VAL . 4.4 mp -39.34 -60.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 36' ' ' HIS . . . -63.46 -64.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -25.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.613 ' N ' ' O ' ' A' ' 32' ' ' LEU . 24.6 m80 -87.32 -56.86 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.621 ' CD1' HG21 ' A' ' 18' ' ' VAL . 3.9 mt -107.99 121.67 45.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 81.74 118.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.26 -16.27 26.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -98.68 -160.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 3.3 mm? -64.93 -12.98 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.63 -122.08 3.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -167.17 46.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 83.39 47.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.339 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -58.27 179.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 73.59 -58.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.62 77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER 178.13 -53.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.782 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -125.5 0.81 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.035 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' A' ' 46' ' ' ARG . 45.7 t-80 -102.0 -76.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.648 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.92 41.65 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -109.28 -72.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 66.77 143.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -43.12 156.44 0.26 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -157.12 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.28 -167.78 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.664 HG12 ' OG ' ' A' ' 61' ' ' SER . 2.4 t -94.74 29.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 4.8 pttt 36.62 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.13 -175.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.9 p -44.14 -90.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.664 ' OG ' HG12 ' A' ' 57' ' ' VAL . 53.8 p 38.91 -153.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.561 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 69.0 m95 -61.86 175.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 108.044 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.558 ' CA ' HG21 ' A' ' 57' ' ' VAL . 11.0 p -121.37 -157.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASP . 6.2 mm-40 -81.52 -80.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.84 -32.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.618 ' OE1' HD22 ' A' ' 88' ' ' LEU . 2.5 mt-10 -66.27 -39.48 89.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -67.99 -48.72 64.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -58.31 -62.03 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' ALA . 77.6 mt -37.62 -69.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.946 HD13 HG13 ' A' ' 96' ' ' VAL . 38.9 mt -48.42 -49.55 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -61.27 -14.79 29.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mm-40 -125.63 19.18 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.755 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -116.76 -26.79 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.92 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 12.3 t-80 -78.32 -19.74 52.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 18.01 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 3.3 t -126.82 -40.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -109.79 -76.8 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.715 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 165.8 -139.93 6.07 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.0 17.24 15.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HD3' ' CB ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.63 55.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.92 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.7 m95 -46.71 -34.34 5.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.032 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.83 -16.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 81' ' ' TRP . 27.7 mm-40 -109.53 -44.22 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.045 HG21 HG11 ' A' ' 96' ' ' VAL . 3.4 mm -44.26 -45.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -68.31 -44.92 74.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -45.98 -31.91 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.59 -39.35 52.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 84' ' ' ILE . 1.5 mp -108.14 102.01 44.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.41 7.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.48 -27.49 2.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.712 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 31.1 mmt180 -119.43 154.81 33.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.408 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 24.1 p -95.56 -170.22 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -73.68 -47.6 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -14.08 38.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.712 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -77.78 -68.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.045 HG11 HG21 ' A' ' 84' ' ' ILE . 58.2 t -55.36 -50.51 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.7 ttpp -42.33 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.19 -50.58 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.588 ' HA ' ' CB ' ' A' ' 102' ' ' SER . 23.7 t60 -44.54 -29.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 1.187 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.4 t-105 -59.23 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.478 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 67.9 m-80 -73.34 -3.78 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.588 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 12.6 t -73.69 -76.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -116.87 -12.91 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.187 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 4.0 mm -89.57 28.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 1.7 mmtm -152.55 81.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.591 ' H ' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -64.08 -66.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.406 ' CE ' ' HA ' ' A' ' 110' ' ' THR . 0.4 OUTLIER -77.51 104.32 7.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 105' ' ' LYS . 2.0 t -128.75 -49.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.78 16.37 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.406 ' HA ' ' CE ' ' A' ' 107' ' ' LYS . 59.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.816 HG23 ' O ' ' A' ' 2' ' ' ILE . 4.1 tp 33.59 59.53 1.79 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.02 -161.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.538 ' O ' HD12 ' A' ' 5' ' ' LEU . 33.8 t70 -69.96 149.02 48.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 70.14 7.13 6.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.645 HG12 HD12 ' A' ' 2' ' ' ILE . 24.6 t -118.85 -25.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -79.49 15.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . -178.19 64.45 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 10.4 m95 -65.17 158.5 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.4 p -152.86 165.41 35.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 5.1 ttmt -37.54 -35.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.642 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -53.92 -46.92 71.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.703 ' HB2' HD13 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -54.79 -42.84 72.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.5 m-20 -75.19 -72.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.642 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -35.74 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' ASP . 6.2 ttmt -74.35 -73.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.939 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.7 t -42.29 -35.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -65.93 -48.15 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . 3.5 tt0 -64.97 -25.32 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD13 ' CD2' ' A' ' 32' ' ' LEU . 1.1 mt -76.89 -56.2 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 18' ' ' VAL . 16.7 t -55.82 -19.82 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -46.06 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -14.18 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.597 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -97.82 -56.87 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 19.68 94.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -165.86 -55.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.423 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.4 mttt 166.26 -10.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.482 ' H ' HG23 ' A' ' 27' ' ' THR . 30.9 mt-30 -69.38 82.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.674 ' HA ' HD13 ' A' ' 33' ' ' ILE . 25.2 m95 -89.46 2.21 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 108.024 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -74.33 -46.49 40.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -52.15 -23.97 6.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.903 HG13 HG13 ' A' ' 18' ' ' VAL . 2.5 mp -73.41 -46.24 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.61 21.31 11.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 31' ' ' THR . 20.8 ttpt -118.66 -33.6 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.708 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -84.08 -3.98 58.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -147.8 115.79 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 143.87 44.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.06 4.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.68 179.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.86 179.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.85 -112.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -172.18 80.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER 40.49 92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.469 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 14.9 p -80.35 160.13 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 36.58 79.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -177.03 42.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.497 ' NH2' ' NE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -174.32 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.52 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -113.57 -20.16 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.026 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -90.0 -43.11 10.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -110.59 93.03 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.497 ' NE2' ' NH2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -172.53 -53.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.59 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.76 96.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' HIS . 42.6 t30 -131.69 74.51 77.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -157.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.02 -170.45 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.2 t -67.56 -27.02 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER 170.07 153.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -33.72 76.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.4 p -121.52 -149.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.83 -150.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.613 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 46.9 m95 -62.82 173.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.032 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.8 p -135.31 -161.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.5 mm-40 -74.75 -77.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.44 -42.1 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.2 mt-10 -60.8 -34.14 74.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.8 t70 -63.06 -56.34 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.2 mtp85 -56.88 -58.08 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.469 HG21 HD21 ' A' ' 88' ' ' LEU . 93.7 mt -38.64 -53.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.622 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -53.81 -70.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -46.51 -23.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -76.79 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.989 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -57.79 -26.45 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.708 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.2 t-80 -77.14 -16.92 58.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 12.8 36.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.1 t -121.9 -40.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.989 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -113.3 -76.32 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.708 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 156.16 -120.07 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.167 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.2 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.03 57.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -51.88 -33.53 37.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.423 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -62.6 -28.69 70.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -108.87 -9.66 15.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.687 HG21 HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -81.41 -43.48 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -73.03 -38.26 66.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 82' ' ' ALA . 21.9 mtmt -65.15 70.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 88' ' ' LEU . 2.9 mt -153.64 -44.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.68 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -119.03 162.38 31.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 87.93 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 91' ' ' ARG . . . 149.26 142.22 3.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.756 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 16.1 mmt180 78.08 152.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.473 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 12.5 p -117.63 -51.89 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -173.49 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -19.98 64.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 91' ' ' ARG . . . -67.05 -63.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.687 HG11 HG21 ' A' ' 84' ' ' ILE . 59.1 t -61.13 -51.96 67.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.621 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -56.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.88 -54.28 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.986 ' CE1' HD11 ' A' ' 104' ' ' ILE . 17.0 t-160 -45.92 -25.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.827 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.0 t-105 -64.29 -68.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.458 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.8 m-80 -68.79 -3.46 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 67.1 m -72.97 -80.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.31 -13.44 7.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.986 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.3 mt -90.73 30.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.8 mmmm -147.21 113.14 5.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.2 -69.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.77 81.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.8 OUTLIER -151.03 -51.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.515 ' N ' HG12 ' A' ' 108' ' ' VAL . 5.8 t0 38.57 71.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.882 HD11 HD12 ' A' ' 5' ' ' LEU . 1.2 pp -100.22 162.41 21.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.3 7.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.791 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.1 t70 -92.42 175.32 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.882 HD12 HD11 ' A' ' 2' ' ' ILE . 0.1 OUTLIER 49.65 22.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 4' ' ' ASP . 52.8 t -95.05 -14.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 11.5 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.37 66.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.55 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.294 ' CE3' HD22 ' A' ' 37' ' ' LEU . 9.3 m0 -64.26 132.26 49.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -109.17 -164.12 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' GLN . 2.1 tttp -43.71 -58.99 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -42.75 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.642 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -50.33 -38.38 41.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.38 -29.21 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.582 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -63.92 -31.13 72.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 14.2 tttt -66.44 -47.53 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.062 HG23 HD21 ' A' ' 37' ' ' LEU . 1.8 t -56.71 -46.7 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.688 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -53.1 -35.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.85 -24.27 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 32' ' ' LEU . 1.7 mt -80.91 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.022 ' CG2' HD11 ' A' ' 33' ' ' ILE . 42.0 t -52.15 -23.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.86 -23.36 67.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.663 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.6 -59.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 37.5 102.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 173.76 -65.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.78 . . . . 0.0 110.409 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.688 ' H ' HG23 ' A' ' 27' ' ' THR . 8.2 mttt 166.73 41.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -104.39 83.16 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.749 ' CE3' HD13 ' A' ' 33' ' ' ILE . 25.7 m95 -94.58 -2.79 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.01 -44.55 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -49.96 -50.18 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.022 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.9 mp -53.58 -61.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.854 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -61.65 -17.08 53.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.7 ttmm -101.74 0.56 36.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.788 ' C ' HD23 ' A' ' 37' ' ' LEU . 5.3 m80 -113.82 -48.64 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.294 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -99.98 95.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -170.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.5 18.92 16.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -159.81 146.08 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 mm? -71.58 -179.86 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.854 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -126.48 -1.12 7.22 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -70.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.31 52.67 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -90.2 -9.71 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.604 ' HB3' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -113.87 -164.15 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 tt0 83.79 52.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -161.03 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.688 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -90.37 -12.81 36.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.014 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -42.4 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -109.09 62.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -123.9 -71.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.57 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.55 118.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -137.77 133.07 17.58 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.08 -171.04 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 57' ' ' VAL . 68.7 t -75.74 -2.53 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.3 OUTLIER 84.39 168.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -85.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 61' ' ' SER . 14.3 p -47.64 155.46 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.3 m 82.26 -158.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 72.1 m95 -63.55 176.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.48 -166.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.4 mm-40 -74.52 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -44.9 -37.52 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.86 ' OE2' HD13 ' A' ' 88' ' ' LEU . 12.7 mt-10 -61.17 -35.0 75.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.6 t70 -70.12 -54.59 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -56.58 17.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 73.9 mt -41.77 -71.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.894 HD13 HG13 ' A' ' 96' ' ' VAL . 32.9 mt -45.76 -51.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -54.78 -15.16 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -106.73 -50.52 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -49.04 -39.37 27.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.851 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 8.1 t-80 -62.22 -14.53 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -106.58 25.83 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.2 t -137.18 -43.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.802 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -99.64 -74.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 126.62 98.46 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.491 ' H ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 43.8 22.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.495 ' CD ' ' HB3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -78.53 50.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.851 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.0 m95 -48.38 -37.76 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -22.67 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.802 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -106.96 -39.52 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.952 HG21 HG11 ' A' ' 96' ' ' VAL . 5.3 mm -47.18 -49.67 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -62.99 -40.5 97.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.43 60.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 87' ' ' LEU . 11.2 mt -152.32 -41.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.86 HD13 ' OE2' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -94.0 163.19 24.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -147.08 -150.24 5.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.449 ' HD2' ' CZ3' ' A' ' 62' ' ' TRP . 67.4 mmt-85 54.4 166.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.567 ' H ' ' HB3' ' A' ' 95' ' ' ALA . 2.1 p -144.47 176.94 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -61.19 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -32.15 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HB3' ' H ' ' A' ' 92' ' ' THR . . . -67.14 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.952 HG11 HG21 ' A' ' 84' ' ' ILE . 61.6 t -54.84 -61.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 11.2 ttpp -36.91 -61.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' C ' ' HG ' ' A' ' 102' ' ' SER . 0.5 OUTLIER -60.19 -54.96 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.602 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 22.8 t60 -44.12 -28.1 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 1.092 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 16.5 t-105 -61.33 -67.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.9 m-80 -72.46 -3.77 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.572 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 51.5 m -72.86 -80.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -114.11 -14.12 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.092 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 3.2 mm -88.36 29.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 1.6 mmtt -152.77 108.26 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.8 OUTLIER -73.78 -65.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -66.32 72.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -154.82 -53.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.44 ' N ' HG12 ' A' ' 108' ' ' VAL . 5.0 t70 -153.24 77.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.984 ' CG2' HG11 ' A' ' 6' ' ' VAL . 9.5 mm -143.51 74.28 17.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.0 -160.57 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.77 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.683 ' O ' HD12 ' A' ' 5' ' ' LEU . 13.5 t70 -63.61 168.55 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 71.79 13.06 6.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.984 HG11 ' CG2' ' A' ' 2' ' ' ILE . 41.3 t -100.33 -29.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.71 24.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.591 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.12 73.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.12 5.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.574 1.829 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.676 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m95 -77.68 174.87 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 25.6 p -152.17 -162.91 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.9 tttt -63.74 -51.08 66.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -41.34 -38.55 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' OE2' ' CZ3' ' A' ' 10' ' ' TRP . 0.8 OUTLIER -73.17 -51.15 18.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.64 ' HA ' HD11 ' A' ' 37' ' ' LEU . 19.9 m-20 -59.89 -59.45 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.528 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -41.9 -37.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.9 tttm -54.11 -49.0 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.963 HG13 HG13 ' A' ' 33' ' ' ILE . 2.4 t -55.32 -47.92 77.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.558 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -60.39 -35.93 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -80.35 -20.99 42.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -78.27 -45.31 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG22 HD11 ' A' ' 33' ' ' ILE . 22.4 t -68.17 -27.95 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -71.38 -36.18 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -84.32 -27.14 27.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.815 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.48 -57.2 3.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.531 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.74 97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.562 1.164 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.624 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -178.06 -61.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.371 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.624 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 173.01 40.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.653 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -109.48 94.82 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.849 ' HA ' HD13 ' A' ' 33' ' ' ILE . 29.6 m95 -106.96 -4.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -77.93 -41.7 35.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.815 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -53.15 -49.5 66.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.963 HG13 HG13 ' A' ' 18' ' ' VAL . 4.3 mp -42.13 -46.2 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.67 -23.96 27.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.52 -41.57 46.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.742 ' N ' ' O ' ' A' ' 32' ' ' LEU . 47.9 m80 -85.0 10.82 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.798 HD12 HG21 ' A' ' 18' ' ' VAL . 90.0 mt -156.01 103.83 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.28 -158.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.06 -53.47 2.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -179.88 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.42 160.6 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -41.75 154.03 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 9.0 tptm -65.15 80.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' CYS . 23.8 mt-30 56.91 67.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLN . 3.5 t -39.95 110.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 73.23 101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 0.6 OUTLIER 175.32 138.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER 85.03 -9.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.604 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -143.34 -81.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.99 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TRP . 27.4 t-80 -37.93 -45.53 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.679 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.493 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 1.0 OUTLIER -113.88 -145.19 0.39 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' O ' ' C ' ' A' ' 53' ' ' LEU . 2.0 t-80 71.28 -49.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' C ' ' O ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -31.04 95.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 52' ' ' HIS . 5.7 p30 -61.99 152.66 76.5 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -157.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.13 -168.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG21 ' O ' ' A' ' 63' ' ' THR . 2.4 t -66.0 -29.52 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.66 66.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' SER . 4.8 tptt 40.45 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.0 p -45.36 94.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 175.36 -152.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.609 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 50.0 m95 -62.66 172.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.527 ' O ' HG21 ' A' ' 57' ' ' VAL . 44.2 p -132.62 -157.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.1 mt-10 -79.72 -79.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -44.42 -35.04 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.9 mt-10 -65.78 -40.31 91.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.7 t70 -60.52 -52.65 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mmp_? -55.19 -61.52 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.628 ' HB ' HD21 ' A' ' 88' ' ' LEU . 75.7 mt -39.03 -46.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -59.04 -68.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -46.41 -25.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 1.019 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.5 mt-10 -77.69 -70.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.732 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -49.22 -22.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.76 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.3 t-80 -72.37 -42.33 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -84.51 6.79 22.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.4 t -112.68 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -130.64 -50.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.622 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 127.73 -68.35 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -148.89 20.27 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 77' ' ' LEU . 3.4 mpt_? -70.19 59.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.76 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.6 m95 -52.03 -36.96 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.24 42.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.487 ' HB2' HD13 ' A' ' 77' ' ' LEU . 27.0 mm-40 -105.74 -34.4 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.978 HG21 HG11 ' A' ' 96' ' ' VAL . 10.1 mm -50.48 -48.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -62.59 -43.6 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -49.25 -25.71 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.732 HD13 ' CB ' ' A' ' 73' ' ' ALA . 1.4 mt -86.61 -33.27 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 84' ' ' ILE . 3.4 mp -106.27 105.87 55.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.91 2.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.791 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.45 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.603 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER 171.63 -175.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.909 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 40.5 p -134.02 -140.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.46 -29.97 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.564 ' HB1' ' HG2' ' A' ' 91' ' ' ARG . . . -71.08 -67.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.978 HG11 HG21 ' A' ' 84' ' ' ILE . 85.4 t -54.28 -60.26 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.587 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.5 ttpp -37.25 -58.64 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' TRP . 0.6 OUTLIER -58.51 -53.25 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 1.01 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.9 t60 -45.05 -25.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.1 t-105 -64.47 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.1 m-80 -70.98 -2.72 16.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.9 m -73.07 -81.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -121.64 -13.22 8.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.01 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.8 mt -90.84 32.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 1.8 mmmm -148.43 100.99 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.437 ' NE ' ' HB2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -62.12 -59.43 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.453 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -68.23 68.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 107' ' ' LYS . 1.0 OUTLIER -157.2 -51.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -87.29 47.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.969 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.743 HD12 ' CD1' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -105.04 -179.42 0.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.349 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.646 ' HD2' ' HB ' ' A' ' 2' ' ' ILE . 18.3 Cg_endo -74.99 20.35 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 6' ' ' VAL . 5.6 t0 -124.97 -152.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.743 ' CD1' HD12 ' A' ' 2' ' ' ILE . 0.3 OUTLIER 70.31 4.35 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 4' ' ' ASP . 1.1 t -132.97 -153.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.45 27.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 105.09 72.22 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HB3' ' C ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -75.0 -157.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.761 ' C ' HG23 ' A' ' 11' ' ' THR . 11.5 m0 -78.61 -74.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.761 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.1 p 69.38 -153.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.1 ttpm? -73.94 -34.32 64.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.78 -62.34 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.781 ' CG ' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -50.23 -40.23 46.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.631 ' O ' HD13 ' A' ' 19' ' ' ILE . 5.0 m-20 -65.25 -23.15 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -83.77 -26.18 29.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 6.6 tttt -85.95 -45.78 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.7 HG21 HG23 ' A' ' 33' ' ' ILE . 2.3 t -64.25 -28.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.646 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -71.65 -54.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -34.78 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.683 HD11 ' CD2' ' A' ' 36' ' ' HIS . 51.4 mt -65.13 -58.06 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.644 ' CG2' HD11 ' A' ' 33' ' ' ILE . 78.4 t -61.19 -16.74 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -24.32 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -22.76 15.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.924 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -89.77 -53.51 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.91 ' O ' HG23 ' A' ' 27' ' ' THR . . . 147.12 -106.03 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -175.53 55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 110.366 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -151.56 -44.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -74.08 83.21 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.709 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.9 m95 -72.31 -6.42 43.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -65.42 -43.65 89.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.924 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -51.83 -18.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.709 HD13 ' HA ' ' A' ' 30' ' ' TRP . 4.1 mp -87.15 -48.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.53 30.01 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HB2' HG23 ' A' ' 31' ' ' THR . 10.4 tttp -123.21 -37.8 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.701 ' C ' HD22 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -82.66 -11.98 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.781 HD11 ' CG ' ' A' ' 14' ' ' GLU . 1.7 mm? -116.22 -177.81 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.54 ' CD ' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -151.37 32.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.02 62.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.489 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 76.23 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.68 93.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 10' ' ' TRP . . . -31.68 105.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -40.32 104.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.67 91.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 15.4 p -98.01 125.02 42.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 46' ' ' ARG . 27.5 mtm105 55.87 93.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.53 -41.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -86.03 -27.09 25.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -105.33 -54.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.78 -45.7 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' HIS . 4.5 m120 -112.31 -149.55 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER 81.65 -50.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.576 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 53' ' ' LEU . 1.3 pp -47.33 99.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -141.5 84.8 12.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.04 -90.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 55' ' ' PRO . 17.3 tt0 59.24 149.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.453 HG21 ' C ' ' A' ' 63' ' ' THR . 21.4 t -69.7 -75.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 60' ' ' SER . 17.0 ttmt -166.73 87.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.65 -90.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 58' ' ' LYS . 91.8 p -101.69 -98.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' SER . 9.3 p 35.16 -149.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.613 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 95.0 m95 -62.75 -178.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.453 ' C ' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -121.22 -167.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.1 mm-40 -77.64 -77.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.94 -33.59 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.797 ' HG2' HD22 ' A' ' 88' ' ' LEU . 3.5 mt-10 -64.15 -36.33 83.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -71.29 -51.73 22.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 49.7 mtp180 -60.26 -62.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.027 HD12 HD21 ' A' ' 88' ' ' LEU . 45.5 mt -39.26 -71.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.939 HD13 HG13 ' A' ' 96' ' ' VAL . 45.7 mt -48.01 -48.31 12.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 49.6 t80 -59.96 -13.83 13.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 16.4 pt-20 -132.82 22.53 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -119.15 -14.33 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.764 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.6 t-80 -81.82 -33.52 30.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 11.02 17.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.6 t -112.83 -25.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CB ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -132.21 -75.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.732 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 161.37 -141.43 7.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -91.56 20.22 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.477 ' HD2' ' CB ' ' A' ' 77' ' ' LEU . 3.8 ptp180 -72.36 48.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.764 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.0 m95 -40.22 -34.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 80' ' ' ARG . . . -46.15 -24.12 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' LYS . 21.9 mm-40 -116.61 -45.22 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.951 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -43.66 -27.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -86.23 -44.38 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' GLU . 15.5 mttt -63.9 72.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.0 mt -153.65 -43.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.027 HD21 HD12 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -120.58 149.74 50.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.98 98.94 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.42 141.94 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.0 mmt180 67.0 135.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -102.95 -152.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -72.99 -48.59 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -14.53 37.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -83.7 -68.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.951 HG11 ' CG2' ' A' ' 84' ' ' ILE . 98.2 t -54.48 -49.03 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.627 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -38.63 -61.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 102' ' ' SER . 3.9 t-20 -62.92 -39.13 93.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.613 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 1.9 t60 -49.6 -21.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.533 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -70.32 -51.29 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.033 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 61.5 m-80 -88.5 -4.86 58.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 98' ' ' ASN . 3.6 t -73.4 -73.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.6 m -135.59 -7.85 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.533 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.1 mm -99.22 35.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -118.9 42.75 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -73.69 -64.95 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.0 OUTLIER -67.05 93.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 107' ' ' LYS . 1.8 t -157.15 -52.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.467 ' O ' HG22 ' A' ' 110' ' ' THR . 6.8 t70 -153.76 78.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 109' ' ' ASP . 15.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.565 ' CG2' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 64.68 153.2 0.12 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.605 ' HD2' HG22 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.95 -168.12 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.415 1.745 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.589 ' O ' ' O ' ' A' ' 5' ' ' LEU . 11.9 t0 -70.08 112.52 6.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.93 HD13 ' C ' ' A' ' 38' ' ' LYS . 1.2 mp 41.78 103.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.605 HG22 ' HD2' ' A' ' 3' ' ' PRO . 92.5 t -69.98 -103.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.577 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -82.44 35.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.7 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.17 47.68 8.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.7 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.96 111.73 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.786 ' C ' HG23 ' A' ' 11' ' ' THR . 10.8 m0 -116.94 -62.86 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.786 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.2 p 71.33 177.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -63.59 -16.08 59.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.9 tt0 -67.84 -52.31 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.566 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -53.05 -46.02 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.931 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.577 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -64.6 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 6.0 pt20 -38.15 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.704 ' C ' HD12 ' A' ' 21' ' ' LEU . 24.3 mttt -68.69 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 33' ' ' ILE . 26.2 t -42.08 -36.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -62.68 -80.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.557 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.8 mt-10 -44.33 -45.0 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.081 HD13 HD13 ' A' ' 32' ' ' LEU . 13.9 mt -54.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.842 HG11 ' CE2' ' A' ' 49' ' ' TRP . 4.4 t -48.68 -21.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -74.0 -38.38 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -101.27 -2.07 32.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.905 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.2 m-85 -109.9 -54.06 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.907 ' O ' HG23 ' A' ' 27' ' ' THR . . . 109.37 -91.85 0.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.907 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.21 37.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 -10.51 12.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -127.53 62.27 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.645 ' CH2' ' HA ' ' A' ' 46' ' ' ARG . 79.7 m95 -57.57 -18.74 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.26 -39.29 66.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.943 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.081 HD13 HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.1 -49.77 68.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.831 HD12 ' HG ' ' A' ' 32' ' ' LEU . 4.1 mp -58.59 -43.4 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.76 7.8 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' THR . 4.0 tttp -113.04 -42.11 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.725 ' ND1' HD11 ' A' ' 21' ' ' LEU . 7.8 m170 -83.31 -26.81 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.733 HD11 HG21 ' A' ' 18' ' ' VAL . 10.5 mt -105.4 61.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.93 ' C ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -55.91 -162.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.57 ' N ' HD13 ' A' ' 5' ' ' LEU . . . 100.88 13.3 34.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.586 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 tmm_? 88.28 126.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 35.18 99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -30.38 92.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . 4.9 tmtt? -39.3 107.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 71.62 82.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 120.23 39.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.645 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 5.8 mtt-85 69.73 81.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.1 -75.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -20.07 58.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.842 ' CE2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.45 20.45 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 46' ' ' ARG . 22.7 t-80 -134.56 -123.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' HIS . 0.1 OUTLIER -33.77 -66.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ASN . 24.6 t60 -37.6 -51.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -84.06 79.57 9.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -138.22 96.64 9.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.98 -8.76 20.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 57' ' ' VAL . 29.5 tt0 56.48 160.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 2.5 t -78.67 -74.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 2.5 tttt 84.64 -164.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -43.74 92.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.6 p -84.18 -149.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m 48.08 -145.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 47.7 m95 -61.98 173.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -129.89 -162.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.9 mm-40 -75.12 -77.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -44.01 -41.57 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.1 mt-10 -60.81 -38.1 84.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -58.65 -52.04 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' ILE . 7.2 mtp180 -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' ARG . 73.9 mt -36.23 -53.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -52.65 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -48.58 -24.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 1.014 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -78.14 -71.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.755 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -44.42 -25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 20.8 t-80 -64.48 -52.48 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 1.45 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.014 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.9 t -104.32 -16.44 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -133.04 -71.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.26 100.91 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.557 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 39.16 28.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.609 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mpt_? -78.72 52.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.4 m95 -51.73 -38.11 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -17.69 36.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.3 mm-40 -109.56 -37.82 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.87 HG21 HG11 ' A' ' 96' ' ' VAL . 4.0 mm -50.23 -46.42 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.745 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -68.71 -52.55 29.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -45.18 -26.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.8 -45.34 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -94.76 117.76 66.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.797 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.37 57.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.745 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.4 OUTLIER 172.15 151.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 p -112.07 -172.12 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -76.71 -41.17 46.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -61.79 -20.36 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.483 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -79.76 -65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.87 HG11 HG21 ' A' ' 84' ' ' ILE . 99.1 t -54.68 -60.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.2 ttpp -39.79 -53.71 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 15.6 t-20 -61.52 -48.51 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.868 ' NE2' HD11 ' A' ' 104' ' ' ILE . 2.7 t60 -52.68 -27.0 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.541 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.1 t-105 -65.44 -50.17 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.463 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 62.7 m-80 -87.55 2.11 51.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 41.0 t -75.48 -80.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -126.92 -8.19 6.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.868 HD11 ' NE2' ' A' ' 99' ' ' HIS . 9.9 mt -100.48 40.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.494 ' CD ' ' H ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -125.39 39.67 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -95.3 -60.81 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -64.44 88.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -156.39 -49.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.552 ' O ' HG22 ' A' ' 110' ' ' THR . 12.4 t0 -154.17 71.12 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 109' ' ' ASP . 8.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 2' ' ' ILE . 1.9 pp -146.26 109.25 4.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.436 0.727 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.02 8.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.712 ' O ' HD12 ' A' ' 5' ' ' LEU . 22.0 t0 -112.39 145.73 39.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 75.24 11.21 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.761 ' CG2' HD12 ' A' ' 2' ' ' ILE . 4.5 t -117.99 -133.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.595 ' H ' HG12 ' A' ' 6' ' ' VAL . 20.2 mmmt 38.21 31.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.65 79.06 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.84 27.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.995 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.6 m95 -91.06 130.76 36.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.527 ' CA ' ' OE1' ' A' ' 14' ' ' GLU . 74.1 p -127.07 -158.35 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -38.99 -61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -43.9 -33.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.734 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.674 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -66.02 -34.34 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -59.21 -28.25 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.54 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 tttt -73.51 -46.59 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.86 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -55.1 -26.23 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.633 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -73.16 -56.48 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.02 -22.23 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.731 ' HB3' HD13 ' A' ' 32' ' ' LEU . 25.5 mt -67.75 -56.69 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' VAL . 24.9 t -61.86 -20.48 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.87 -34.08 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.76 -25.68 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.748 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -88.14 -52.98 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 27' ' ' THR . . . 144.15 -100.6 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -176.0 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.396 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 21.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 59.8 mt-30 -124.63 56.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 26.7 m95 -51.52 -22.44 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.601 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -62.89 -42.68 99.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.951 HD12 ' C ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -52.11 -19.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.86 HG13 HG13 ' A' ' 18' ' ' VAL . 4.3 mp -90.69 -50.33 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -88.46 16.22 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -116.91 -38.25 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.712 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 1.2 m80 -84.59 -41.93 15.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.995 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -91.73 64.81 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -67.37 89.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 159.31 42.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.04 -172.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.04 -2.12 42.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 33' ' ' ILE . . . 46.08 26.36 2.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -98.99 -141.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 43' ' ' LYS . 51.5 tt0 33.25 91.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.602 ' SG ' HG21 ' A' ' 33' ' ' ILE . 88.3 m -150.53 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 108.275 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.621 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 69.2 mtp85 -57.13 80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' CYS . 24.7 tt0 -155.91 -43.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -34.65 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.633 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -112.89 -11.23 13.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 51' ' ' ASN . 9.7 t-160 -76.89 -113.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' N ' ' CD2' ' A' ' 50' ' ' HIS . 0.1 OUTLIER -73.98 58.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.44 ' ND1' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -117.41 -36.65 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.58 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 52' ' ' HIS . 1.4 tt -39.16 129.05 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -120.27 114.58 33.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.439 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.05 -85.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 44.3 tt0 54.87 162.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.594 HG21 ' O ' ' A' ' 63' ' ' THR . 1.7 t -90.25 25.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt 75.02 136.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 60' ' ' SER . 2.6 mttt -67.62 151.61 47.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.2 p 84.48 -56.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -66.59 -158.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.608 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 56.3 m95 -63.08 175.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.594 ' O ' HG21 ' A' ' 57' ' ' VAL . 9.6 p -138.43 -157.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.9 mm-40 -81.03 -79.94 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.56 -31.15 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 11.7 mt-10 -67.74 -38.11 83.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.6 t0 -63.92 -51.35 64.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.7 mtp180 -56.19 -61.46 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' ARG . 69.7 mt -36.99 -43.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.499 HD13 ' CG2' ' A' ' 84' ' ' ILE . 1.1 mm -61.66 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.5 t80 -47.71 -22.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 1.032 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -80.73 -70.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.928 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -47.41 -24.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.789 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 21.2 t-80 -70.22 -43.17 71.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.3 pttt -85.55 8.32 19.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 72' ' ' GLU . 5.1 t -111.91 -20.6 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.928 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -130.4 -74.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 134.76 104.85 0.82 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.535 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.1 OUTLIER 39.42 28.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.62 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mpt_? -78.22 53.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.789 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -52.01 -37.44 53.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.985 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.09 36.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.0 mm-40 -112.74 -27.19 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.853 HD13 ' HB3' ' A' ' 73' ' ' ALA . 3.4 mm -62.98 -45.7 98.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -71.86 -37.43 70.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 24.1 mmtt -39.18 -31.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -78.56 -51.6 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.525 ' N ' HD22 ' A' ' 88' ' ' LEU . 1.6 mm? -101.93 112.2 65.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.56 10.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.95 7.1 13.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.596 ' CG ' ' CH2' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -116.44 -11.03 11.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.694 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 37.1 p 45.19 -91.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -159.64 -44.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' ASN . 1.1 p30 -59.03 -26.75 64.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -64.08 -64.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 84' ' ' ILE . 61.8 t -61.51 -59.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.7 ttpp -40.21 -60.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 19.0 t-20 -59.28 -57.2 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 1.034 ' CE1' HD11 ' A' ' 104' ' ' ILE . 12.1 t-160 -44.42 -27.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.822 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 6.1 t-105 -63.03 -69.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.6 m-80 -69.81 -3.11 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.0 m -72.23 -81.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -118.73 -13.6 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.034 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.7 mt -91.96 35.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.591 ' O ' HG22 ' A' ' 108' ' ' VAL . 10.9 mmtt -152.99 78.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.737 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -64.81 -67.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.427 ' HG2' ' CG2' ' A' ' 110' ' ' THR . 0.4 OUTLIER -67.81 92.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 106' ' ' ARG . 0.5 OUTLIER -107.49 -55.92 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -153.52 75.03 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.427 ' CG2' ' HG2' ' A' ' 107' ' ' LYS . 23.7 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.923 HD11 ' CD1' ' A' ' 5' ' ' LEU . 1.6 pp -72.18 157.23 89.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.471 ' CA ' ' HE2' ' A' ' 7' ' ' LYS . 18.3 Cg_endo -75.01 35.45 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.69 ' HB3' ' CD1' ' A' ' 2' ' ' ILE . 4.9 t0 -143.63 -174.33 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.923 ' CD1' HD11 ' A' ' 2' ' ' ILE . 0.3 OUTLIER 73.3 1.53 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 4' ' ' ASP . 0.8 OUTLIER -139.05 -63.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.471 ' HE2' ' CA ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -75.59 2.43 11.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 172.92 61.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.04 157.67 42.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.794 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 9.9 m0 -55.73 170.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 11.6 p -151.51 -165.02 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLN . 38.6 ttpt -52.9 -34.26 54.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.586 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -47.59 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.576 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 23.8 mp0 -52.04 -38.87 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HA ' HD11 ' A' ' 37' ' ' LEU . 68.0 m-20 -64.81 -26.04 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.594 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 1.3 pp0? -64.84 -34.01 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.594 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.4 tttt -69.28 -40.85 77.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.939 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -56.93 -35.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.04 HG23 ' CZ2' ' A' ' 49' ' ' TRP . 2.8 mm -67.78 -38.67 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -21.51 64.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.855 HD13 HD13 ' A' ' 32' ' ' LEU . 3.9 mt -81.76 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.961 ' CG2' HD11 ' A' ' 33' ' ' ILE . 96.3 t -50.01 -22.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.5 mttp -71.8 -61.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.29 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.699 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -85.17 -61.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.06 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 179.88 -66.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.414 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.668 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 174.41 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -114.28 98.7 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.733 ' HA ' HD13 ' A' ' 33' ' ' ILE . 53.2 m95 -111.32 -11.04 14.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -68.5 -38.45 80.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.855 HD13 HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -54.44 -54.81 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.961 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.8 mp -40.91 -74.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.9 -59.01 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -46.85 -27.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.639 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.0 m80 -84.52 -67.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.794 HD22 ' HZ3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -88.85 96.68 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.94 36.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.23 -8.07 45.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.22 158.81 19.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.58 149.9 45.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.37 50.54 4.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -95.59 -58.61 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.58 59.05 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 42.9 m -113.55 -172.32 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 35.02 61.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 1.3 mt-10 -154.7 120.23 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER 80.34 -3.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 1.04 ' CZ2' HG23 ' A' ' 19' ' ' ILE . 3.6 t90 -132.77 -47.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' A' ' 51' ' ' ASN . 7.8 t-80 -72.86 -90.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.538 ' O ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -59.49 84.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 51' ' ' ASN . 7.5 m80 -173.35 -66.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.644 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -153.55 35.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.549 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -76.88 -49.95 2.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 54' ' ' ASN . 18.1 Cg_endo -75.03 -90.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.428 1.752 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' OE2' HD11 ' A' ' 53' ' ' LEU . 19.6 tt0 58.61 153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.752 HG12 ' N ' ' A' ' 58' ' ' LYS . 29.1 t -83.82 -98.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.752 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -152.17 -170.19 3.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -63.96 88.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.17 -170.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.23 24.45 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 109.976 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 94.6 m95 -91.97 -179.82 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.564 ' O ' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -128.14 -165.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -80.69 -79.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.16 -27.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CD ' HD13 ' A' ' 88' ' ' LEU . 1.9 mm-40 -66.79 -39.87 87.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -69.46 -46.75 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mtp180 -58.9 -62.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.686 HD12 HD21 ' A' ' 88' ' ' LEU . 95.8 mt -38.81 -71.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.642 HG21 HG13 ' A' ' 96' ' ' VAL . 15.0 mt -48.55 -49.78 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 54.2 t80 -58.73 -15.17 10.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -106.06 -13.12 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.791 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -92.17 -22.11 20.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.737 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.9 t-80 -74.57 -14.81 60.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -101.86 12.06 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.4 t -115.1 -34.37 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -125.02 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.737 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.4 -121.15 1.09 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 22.07 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 54.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.673 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -48.94 -35.48 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.18 48.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LYS . 7.6 mm-40 -104.16 -41.91 5.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.885 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -46.98 -42.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -70.99 -31.08 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' GLU . 19.9 mttt -66.45 67.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 4.3 mt -153.77 -44.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.686 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -114.6 127.77 26.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 102.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.459 ' O ' ' NE ' ' A' ' 91' ' ' ARG . . . 136.24 55.95 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.734 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 4.9 tpp180 174.15 168.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -133.82 -167.78 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -28.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.508 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.23 -67.41 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.885 HG11 ' CG2' ' A' ' 84' ' ' ILE . 67.2 t -57.44 -54.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.604 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.6 ttpp -37.66 -64.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.4 -49.88 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 1.056 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.8 t60 -46.91 -25.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.854 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.8 t-105 -64.55 -69.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.5 m-80 -67.26 -4.51 10.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.46 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.7 m -72.06 -80.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.07 -13.96 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.056 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.3 mt -90.76 31.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 5.9 mmmt -148.58 111.62 4.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -68.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 1.4 tttt -69.78 77.5 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -150.22 -46.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.418 ' N ' HG12 ' A' ' 108' ' ' VAL . 8.1 t70 -152.88 73.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.997 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' C ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 1.094 ' CG1' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -136.67 39.72 0.45 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.848 ' HD3' ' N ' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.0 7.9 2.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.788 ' O ' HD23 ' A' ' 5' ' ' LEU . 3.5 t70 -124.3 21.77 8.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.094 HD12 ' CG1' ' A' ' 2' ' ' ILE . 0.4 OUTLIER -154.39 21.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 2' ' ' ILE . 77.6 t -114.93 -24.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HE2' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -75.96 10.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 176.37 71.67 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 163.96 34.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.77 ' C ' HG23 ' A' ' 11' ' ' THR . 11.0 m0 -110.84 -31.54 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.0 OUTLIER 69.23 -161.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.7 tttm -81.83 -28.05 33.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -45.68 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 10' ' ' TRP . 7.8 mm-40 -49.65 -39.6 36.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 19.3 m-20 -62.35 -31.05 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -62.86 -31.2 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 12.0 tttm -65.34 -49.51 69.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.901 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.5 t -50.17 -38.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.525 HD13 HG12 ' A' ' 18' ' ' VAL . 3.6 mm -58.24 -47.83 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.22 -43.99 72.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 32' ' ' LEU . 2.9 mt -54.26 -46.08 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 18' ' ' VAL . 80.7 t -51.65 -60.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -14.98 9.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -86.27 -45.25 11.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.836 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.63 -51.57 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.844 ' O ' HG23 ' A' ' 27' ' ' THR . . . 154.45 -126.55 1.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 26' ' ' GLY . 1.1 p -164.66 62.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.37 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -120.08 -62.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.5 m95 67.39 9.9 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.035 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.587 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -95.57 -52.48 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.836 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.45 -17.7 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.872 HG13 HG13 ' A' ' 18' ' ' VAL . 5.2 mp -91.3 -57.37 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.72 9.3 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.1 ttpp -116.94 -36.0 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.636 ' CD2' HD13 ' A' ' 21' ' ' LEU . 2.3 m80 -84.84 -39.18 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD11 ' CG2' ' A' ' 18' ' ' VAL . 1.6 mt -110.31 107.37 17.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -152.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.0 -49.52 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 1.015 ' HD2' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.65 -174.51 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.03 -179.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' LEU . . . -45.27 171.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.2 tptp -97.03 47.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' LYS . 16.8 tt0 34.91 35.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.1 m -41.44 -39.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -44.51 -62.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' CB ' ' HG2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -62.72 73.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ARG . 8.5 tpp85 -177.69 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.539 ' CZ2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.25 -20.49 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 107.991 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 5.5 m170 -90.56 -26.76 19.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -108.68 15.18 23.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.43 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -77.41 -56.82 4.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.635 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' CB ' ' O ' ' A' ' 52' ' ' HIS . 0.5 OUTLIER 83.84 82.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -141.73 67.21 23.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -76.33 -167.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 9.8 t -66.87 -17.38 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 mmtp 162.2 42.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 37.91 -92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -81.99 68.2 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -169.16 -155.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 65.1 m95 -62.4 174.84 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.56 -166.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.2 mm-40 -72.58 -79.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -37.08 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG2' HD22 ' A' ' 88' ' ' LEU . 2.0 mt-10 -62.15 -37.13 84.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.1 t70 -69.0 -52.63 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -55.61 -59.38 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.2 mt -39.93 -72.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.625 HG21 HG13 ' A' ' 96' ' ' VAL . 30.7 mt -45.04 -55.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -48.48 -20.67 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -97.92 -46.31 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -55.03 -21.33 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.783 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.0 t-80 -77.52 -14.13 59.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -100.76 9.71 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -110.86 -30.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.81 HD22 ' HD2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -133.09 -71.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.783 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 150.37 -118.19 0.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.96 21.12 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.81 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -73.3 52.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.692 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 10.8 m95 -48.73 -37.31 18.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.37 -28.14 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.8 mm-40 -107.83 -43.91 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.848 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -44.98 -43.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -69.84 -37.13 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.6 mttm -65.38 70.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.7 mt -153.77 -43.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.424 HD22 ' HG2' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -126.76 133.19 24.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.1 Cg_endo -75.03 127.39 10.62 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.43 -52.01 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.9 mmt180 -93.66 166.28 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.449 ' H ' ' HB3' ' A' ' 95' ' ' ALA . 25.1 p -129.52 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -69.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.23 -29.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' A' ' 92' ' ' THR . . . -64.89 -62.32 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.848 HG11 ' CG2' ' A' ' 84' ' ' ILE . 61.3 t -59.89 -54.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.619 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -35.92 -65.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -57.24 -53.84 53.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.68 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 12.7 t60 -44.54 -28.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.561 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 1.053 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 13.1 t-105 -60.58 -68.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.4 m-80 -71.19 -4.71 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.569 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.0 t -70.8 -78.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.18 -14.09 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.053 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.4 mm -88.35 31.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 2.9 mmtt -150.94 73.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.449 ' H ' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -74.51 -36.59 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 1.9 tttt -85.07 67.93 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -146.08 -47.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.429 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 8.1 t0 -153.09 78.85 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.989 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.832 HD11 ' HA ' ' A' ' 6' ' ' VAL . 5.2 pt -114.28 131.01 23.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -3.48 13.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.746 ' O ' HD12 ' A' ' 2' ' ' ILE . 18.7 t0 -137.19 144.92 43.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 6' ' ' VAL . 1.3 mp 49.96 -168.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.1 t -168.39 169.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.584 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -69.4 42.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 141.72 71.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.2 Cg_endo -75.02 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.575 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 11.3 m0 -56.92 175.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 9.5 p -152.31 -166.91 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.8 ttpp -47.16 -30.08 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -54.14 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 49.4 mm-40 -49.06 -38.01 22.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -65.06 -32.15 73.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.47 -27.34 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.49 -54.56 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.893 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -46.77 -42.66 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.586 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -63.11 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.39 -16.55 61.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.903 HD13 HD13 ' A' ' 32' ' ' LEU . 3.7 mt -84.6 -61.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 18' ' ' VAL . 6.5 t -56.26 -20.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -59.6 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -20.96 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.68 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.0 m-30 -85.81 -60.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 31.14 92.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.626 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -175.17 -61.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.626 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 173.42 57.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -121.91 99.14 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.796 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.2 m95 -116.16 -6.96 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -39.92 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.903 HD13 HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.66 -53.38 55.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.893 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -38.62 -70.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.61 -60.04 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -29.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.64 ' N ' ' O ' ' A' ' 32' ' ' LEU . 21.0 m80 -84.92 -62.68 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.606 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -96.99 92.22 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.538 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.14 36.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.24 -15.11 8.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -137.88 55.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 33.39 -101.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.01 41.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -54.35 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.45 54.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 47' ' ' GLU . 4.3 t -143.04 -42.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.586 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 mtm105 -64.32 65.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 45' ' ' CYS . 19.9 tt0 -145.19 15.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.01 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.586 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -92.45 -16.05 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -35.43 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.566 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -109.14 74.82 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 -69.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.642 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -40.35 104.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -128.31 108.03 19.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.96 -90.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 55' ' ' PRO . 72.6 tt0 53.12 168.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.436 HG21 ' C ' ' A' ' 63' ' ' THR . 12.0 t -64.68 -49.05 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 60' ' ' SER . 11.9 ptmt 171.84 90.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.91 -89.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.9 m -108.67 -97.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 60' ' ' SER . 3.5 m 34.39 -149.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.635 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 61.7 m95 -63.05 175.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.436 ' C ' HG21 ' A' ' 57' ' ' VAL . 14.9 p -132.1 -164.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASP . 12.6 mm-40 -74.1 -79.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -41.58 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 33.6 mt-10 -59.79 -36.33 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t70 -60.38 -53.86 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' ILE . 3.4 mtp180 -61.14 -57.25 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 90.6 mt -36.02 -39.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -66.56 -70.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -48.53 -20.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -83.2 -65.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.937 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.4 -20.96 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.724 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 19.6 t-80 -76.5 -14.31 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.646 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.84 13.43 32.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.2 t -117.82 -37.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.937 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -119.96 -69.36 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.724 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 145.93 -113.24 0.67 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.05 20.27 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.935 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.58 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.1 m95 -51.84 -37.03 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.41 -25.31 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.48 ' HB2' ' CD ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -99.39 -40.44 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.954 HG21 HG11 ' A' ' 96' ' ' VAL . 3.6 mm -47.89 -44.03 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -69.59 -37.1 76.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -56.65 -35.89 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 73' ' ' ALA . 5.9 mt -74.86 -16.7 60.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 10.7 mt -95.22 165.38 16.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.01 7.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.41 98.49 0.61 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.886 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 9.6 mmt-85 -146.69 17.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.843 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 2.0 p 45.73 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.07 -57.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -30.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -68.1 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.954 HG11 HG21 ' A' ' 84' ' ' ILE . 92.8 t -53.99 -57.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.641 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -39.36 -43.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.1 t-20 -74.95 -47.97 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.635 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.7 t60 -46.61 -22.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.632 ' CZ2' ' ND1' ' A' ' 74' ' ' HIS . 1.3 t-105 -69.52 -53.57 18.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.409 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 68.4 m-80 -88.13 -6.27 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 98' ' ' ASN . 1.3 t -72.24 -73.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -136.55 -8.06 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 99' ' ' HIS . 0.9 OUTLIER -98.02 33.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -117.17 41.09 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -65.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.5 tttt -66.78 93.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 107' ' ' LYS . 1.0 OUTLIER -156.82 -48.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.71 31.1 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.953 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' C ' ' CG1' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.661 HG22 ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -160.09 174.12 4.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.367 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.661 ' CD ' HG22 ' A' ' 2' ' ' ILE . 18.4 Cg_endo -75.02 -163.57 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.747 ' O ' HD12 ' A' ' 5' ' ' LEU . 24.9 t0 -68.24 -179.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 74.34 13.01 3.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.632 HG12 ' H ' ' A' ' 7' ' ' LYS . 5.1 t -110.15 -133.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.632 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 29.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 123.16 79.36 0.46 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.04 21.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.654 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.2 m0 -90.43 158.74 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' GLU . 28.4 p -147.24 -165.39 2.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttt -39.83 -53.96 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -45.04 -40.35 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.771 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.41 -47.5 81.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.583 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -62.07 -49.36 76.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -48.01 -24.31 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.2 tttp -72.41 -53.82 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.881 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.3 t -45.96 -30.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.643 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.81 -47.97 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.81 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.655 HD13 ' CD2' ' A' ' 36' ' ' HIS . 1.4 mt -89.29 -30.8 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 18' ' ' VAL . 39.0 t -70.1 -34.94 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.07 -38.31 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -70.11 -23.05 62.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.717 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.7 m-30 -98.78 -48.94 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.56 0.27 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.156 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.732 HG23 HG13 ' A' ' 22' ' ' VAL . 0.5 OUTLIER 77.89 52.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 -55.52 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.25 73.16 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -54.77 -21.11 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.557 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.83 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.717 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.05 -45.74 61.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.881 ' CG1' HG13 ' A' ' 18' ' ' VAL . 3.6 mp -61.67 -39.2 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.05 16.7 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.557 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -120.86 -33.73 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.655 ' CD2' HD13 ' A' ' 21' ' ' LEU . 5.9 m80 -82.57 -54.86 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.771 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -84.73 65.85 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 80.74 0.91 88.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 157.58 -170.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.41 126.92 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.42 107.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -64.7 61.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.589 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER 169.33 54.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.64 80.57 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.288 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER 58.88 113.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 164.79 50.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 179.21 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.604 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -112.58 -34.84 5.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -85.15 -36.68 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -113.68 61.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -172.01 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' CD2' ' HD3' ' A' ' 55' ' ' PRO . 1.5 tp 38.3 -98.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' HIS . 10.0 t-20 41.33 74.08 0.79 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.443 ' HD3' ' CD2' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.01 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.76 -177.18 5.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.663 HG21 ' O ' ' A' ' 63' ' ' THR . 16.5 t -97.97 -19.25 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 177.51 55.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.1 OUTLIER 38.45 88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.5 p 84.76 -175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 74.26 -146.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.611 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 57.5 m95 -62.32 173.65 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.663 ' O ' HG21 ' A' ' 57' ' ' VAL . 52.3 p -123.04 -158.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.6 mm-40 -79.84 -80.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -34.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -63.6 -40.67 97.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t0 -66.86 -47.44 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLU . 2.3 mmp_? -59.01 -62.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' ALA . 86.0 mt -37.48 -70.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.872 HD13 HG13 ' A' ' 96' ' ' VAL . 13.0 mt -48.25 -50.94 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.1 -14.24 9.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 3.1 mm-40 -125.5 15.65 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.996 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -119.89 -11.29 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.88 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 17.2 t-80 -88.53 -24.63 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.31 11.95 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -115.03 -32.14 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.996 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -118.37 -75.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.61 110.44 1.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.545 ' H ' ' CD2' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 36.07 31.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 1.1 mpt_? -82.98 48.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.88 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -51.55 -37.17 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.03 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.22 35.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -109.98 -36.47 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.711 HG21 HG11 ' A' ' 96' ' ' VAL . 3.5 mm -54.47 -53.88 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -59.51 -38.95 82.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -63.77 -33.98 76.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.03 6.74 20.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.799 HD11 HD11 ' A' ' 70' ' ' ILE . 14.6 mt -107.23 161.44 22.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.2 -133.37 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 73.8 mmt-85 47.81 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 4.2 p -138.75 -173.15 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.74 -33.56 52.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.44 -22.29 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.05 -61.28 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.872 HG13 HD13 ' A' ' 70' ' ' ILE . 85.9 t -55.48 -60.51 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 10.0 ttpp -36.9 -52.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.4 t-20 -65.61 -54.48 27.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 1.018 ' CE1' HD11 ' A' ' 104' ' ' ILE . 15.3 t-160 -45.29 -26.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.827 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.9 t-105 -63.81 -69.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.5 m-80 -67.19 -4.85 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.2 m -71.7 -79.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -123.48 -13.54 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.018 HD11 ' CE1' ' A' ' 99' ' ' HIS . 3.2 mt -91.92 34.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.591 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -149.99 86.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.684 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -64.84 -70.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.32 91.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -104.56 -53.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' VAL . 8.5 t0 38.39 70.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 109' ' ' ASP . 1.1 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.487 ' C ' ' H ' ' A' ' 8' ' ' GLY . 35.0 t -93.53 -25.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 20.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.6 67.6 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.81 5.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.704 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 9.4 m95 -79.05 171.9 14.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.463 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.3 p -152.23 -163.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 tmtt? -62.3 -31.26 71.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -51.62 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -50.34 -39.98 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' HA ' HD11 ' A' ' 37' ' ' LEU . 4.0 m-20 -64.24 -29.08 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.576 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -64.43 -29.51 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.574 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.9 tttp -70.06 -46.8 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 HG13 ' A' ' 33' ' ' ILE . 2.2 t -52.66 -38.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.546 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -68.84 -33.39 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.9 -21.94 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 36' ' ' HIS . 1.5 mt -89.02 -44.49 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.983 HG22 HD11 ' A' ' 33' ' ' ILE . 54.9 t -59.82 -34.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -76.5 -40.44 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -73.9 -15.17 61.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.664 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -100.32 -52.58 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 120.55 5.1 10.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.874 HG23 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 71.62 55.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.425 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 -44.31 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -95.81 73.41 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 62.5 m95 -58.16 -17.85 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.29 -29.57 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.88 -55.16 32.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.983 HD11 HG22 ' A' ' 22' ' ' VAL . 4.3 mp -45.37 -61.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.522 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -61.58 -63.24 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 31' ' ' THR . 12.1 tttt -44.06 -28.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.575 ' CE1' HD13 ' A' ' 21' ' ' LEU . 10.8 m-70 -84.19 -59.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD22 ' HZ3' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -97.87 92.18 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -161.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.27 -48.84 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.41 -172.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.33 145.39 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.522 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -86.03 13.43 56.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 44' ' ' GLN . 2.6 tptt -80.83 -138.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 35.55 66.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.2 m -166.27 -44.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 108.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 6.5 mtt180 -36.79 -35.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.17 56.55 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.65 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.872 ' HB3' HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -98.79 -21.28 16.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.78 -31.12 10.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.542 HD22 ' N ' ' A' ' 51' ' ' ASN . 1.4 m-80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 68.6 m95 -62.69 175.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.9 p -124.27 -158.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 14.7 mm-40 -80.85 -82.04 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -29.73 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.67 -41.26 79.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.97 -47.4 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 mtp180 -56.35 -61.55 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.87 HD12 HD11 ' A' ' 88' ' ' LEU . 61.1 mt -37.39 -65.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.966 HD13 HG13 ' A' ' 96' ' ' VAL . 35.5 mt -51.38 -45.49 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 49.8 t80 -66.7 -14.07 62.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -126.87 21.25 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.6 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -117.92 -33.91 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.834 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 5.8 t-80 -69.66 -14.62 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.44 11.54 36.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -114.75 -36.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -123.95 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.791 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 161.82 -131.65 2.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.478 ' HA ' ' HE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -89.35 25.62 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.18 55.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.834 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 16.1 m95 -50.86 -36.16 36.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.54 -29.12 61.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.62 -39.62 10.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.0 HG21 HG11 ' A' ' 96' ' ' VAL . 3.8 mm -50.18 -48.56 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -67.06 -45.46 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -41.53 -28.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.46 ' HB2' HD22 ' A' ' 88' ' ' LEU . 11.4 mt -74.25 -51.67 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.87 HD11 HD12 ' A' ' 69' ' ' ILE . 1.1 mm? -98.83 111.23 60.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.55 8.71 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.78 -51.44 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.0 mmt180 -89.24 160.13 17.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -107.2 -169.8 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -74.2 -44.77 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -13.98 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.35 -66.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.0 HG11 HG21 ' A' ' 84' ' ' ILE . 57.9 t -54.91 -51.17 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -42.25 -59.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.5 t-20 -60.27 -44.07 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.4 t60 -48.72 -23.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.655 ' CZ3' HG22 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -68.52 -53.13 25.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.019 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 54.6 m-80 -83.41 -4.44 58.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 50.7 m -73.46 -77.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 m -132.32 -6.78 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.558 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -100.49 35.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.87 HD11 ' C ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.586 HG12 ' H ' ' A' ' 7' ' ' LYS . 2.1 t -128.81 -144.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.586 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.56 28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 111.57 77.14 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.775 ' CZ3' HD12 ' A' ' 37' ' ' LEU . 8.6 m0 -62.5 164.66 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.1 p -152.58 172.62 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -38.15 -32.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -62.02 -55.13 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.805 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.98 -21.15 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.571 ' O ' HD13 ' A' ' 19' ' ' ILE . 3.3 m-20 -91.43 -19.04 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 2.8 pt20 -88.75 -27.89 20.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -47.05 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.739 HG21 HG23 ' A' ' 33' ' ' ILE . 2.1 t -65.03 -37.12 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.658 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -63.07 -72.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -44.76 -22.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.09 HD13 HD13 ' A' ' 32' ' ' LEU . 20.5 mt -81.25 -77.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.92 ' CG2' HD11 ' A' ' 33' ' ' ILE . 4.0 t -41.96 -30.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.25 -49.79 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -68.49 -20.84 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.661 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.7 m-30 -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.739 ' C ' HG22 ' A' ' 27' ' ' THR . . . 49.25 108.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.739 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 160.6 -71.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.689 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.25 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 8.2 mt-30 -109.51 95.3 5.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 25.7 m95 -97.29 -8.73 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -72.9 -49.22 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.09 HD13 HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -49.82 -49.35 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.92 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.4 mp -54.33 -38.64 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.12 14.18 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -116.34 -39.27 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.778 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.9 m-70 -83.47 -10.56 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.805 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -147.01 117.42 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -88.09 169.86 11.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.87 ' C ' HD11 ' A' ' 5' ' ' LEU . . . 105.64 -53.48 0.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.528 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -103.26 153.97 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.47 -172.08 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.88 68.65 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -144.02 -51.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.42 97.07 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' CB ' HG21 ' A' ' 33' ' ' ILE . 1.9 m -162.48 -65.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.777 ' HD2' HG21 ' A' ' 22' ' ' VAL . 4.5 ptm180 -82.91 46.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -105.48 31.14 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -89.89 -50.19 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.658 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -79.0 -17.01 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.68 -63.75 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.798 HD22 ' N ' ' A' ' 51' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.598 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 79.8 m95 -62.82 177.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 p -124.6 -156.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.1 mt-10 -82.06 -81.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -44.06 -32.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.976 ' HG2' HD22 ' A' ' 88' ' ' LEU . 2.2 mt-10 -65.94 -41.91 90.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -70.96 -49.14 48.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.1 mmp_? -58.85 -62.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.979 HD12 HD21 ' A' ' 88' ' ' LEU . 27.9 mt -38.74 -70.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.724 HD13 HG13 ' A' ' 96' ' ' VAL . 64.6 mt -43.22 -55.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -50.23 -38.79 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.13 12.2 35.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . . . -111.12 -22.55 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.79 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.8 t-80 -75.51 -15.5 60.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.13 11.45 39.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -112.49 -28.4 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -133.05 -69.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.79 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.36 -122.96 1.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.78 19.41 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 52.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.3 m95 -47.81 -36.98 12.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.999 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.19 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 3.4 mm-40 -109.56 -44.38 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.886 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -44.85 -38.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -75.18 -38.38 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' GLU . 34.2 mttt -62.79 74.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.523 HD13 ' CG2' ' A' ' 69' ' ' ILE . 3.7 mt -156.48 -43.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.979 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -124.53 150.79 65.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.91 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.4 142.17 4.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.48 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 69.8 mmt-85 67.13 125.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 71.8 p -92.43 -139.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 -48.08 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.26 -14.39 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -82.26 -69.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.886 HG11 ' CG2' ' A' ' 84' ' ' ILE . 97.7 t -54.43 -50.59 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.631 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.9 ttpp -38.43 -64.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -57.16 -49.32 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.053 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.8 t60 -44.59 -28.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.841 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.1 t-105 -61.77 -68.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.452 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 67.8 m-80 -69.43 -3.94 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 22.4 t -72.05 -78.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -126.03 -12.99 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.053 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -90.96 31.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 22.1 mmmt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -80.05 -27.89 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 16.52 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 176.13 62.9 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 126.24 9.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 7.1 m0 -72.84 160.69 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 10' ' ' TRP . 71.7 p -153.17 171.65 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' THR . 3.0 tptm -39.86 -32.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.08 -51.42 68.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.945 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -53.55 -31.84 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.543 ' O ' HD13 ' A' ' 19' ' ' ILE . 10.0 m-20 -78.21 -47.69 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -53.51 -24.66 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.0 tttp -83.61 -53.35 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.7 t -56.68 -36.5 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.767 HD12 ' CZ2' ' A' ' 49' ' ' TRP . 1.1 mp -65.34 -75.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.639 ' N ' HG22 ' A' ' 19' ' ' ILE . 32.8 tt0 -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CB ' HD13 ' A' ' 32' ' ' LEU . 41.8 mt -54.62 -56.23 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.645 ' CG2' HD11 ' A' ' 33' ' ' ILE . 21.4 t -61.78 -14.53 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -15.12 33.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -20.35 12.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.872 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.4 m-30 -93.98 -53.46 3.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' ' 27' ' ' THR . . . 145.0 -116.11 0.9 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.502 1.127 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 26' ' ' GLY . 1.0 OUTLIER -163.36 29.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.402 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -132.67 8.0 4.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.469 ' C ' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -120.28 94.01 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.611 ' HA ' HD13 ' A' ' 33' ' ' ILE . 17.6 m95 -84.46 -6.11 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -69.03 -47.84 64.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.356 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.904 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -52.09 -16.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.831 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.8 mp -90.53 -48.66 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.02 28.9 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 31' ' ' THR . 16.8 tttt -126.19 -38.08 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.7 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 3.1 m-70 -85.93 -9.94 56.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.945 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -142.39 109.62 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -99.65 124.83 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.67 -27.8 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 165.97 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.51 164.62 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.17 96.27 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.57 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.3 96.49 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.7 -77.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 25.4 ptt180 -95.51 76.6 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -110.88 -13.35 14.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -94.76 -90.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.767 ' CZ2' HD12 ' A' ' 19' ' ' ILE . 12.1 p-90 -41.87 -30.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' C ' ' A' ' 48' ' ' ARG . 9.5 t-80 -61.91 -64.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.619 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 64.5 m95 -62.85 174.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 p -123.81 -158.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' ASP . 10.5 mm-40 -80.32 -79.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.57 -34.38 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 70' ' ' ILE . 1.4 mt-10 -65.26 -38.46 90.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.0 OUTLIER -69.59 -50.67 42.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.0 mtp180 -58.49 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.854 HG21 HD11 ' A' ' 88' ' ' LEU . 93.0 mt -36.81 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.701 HD13 HG13 ' A' ' 96' ' ' VAL . 29.3 mt -49.31 -51.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 10.7 t80 -54.82 -23.25 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . 4.3 pt-20 -113.8 11.46 18.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . . . -107.29 -24.03 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.825 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.5 t-80 -75.19 -15.36 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 11.62 38.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -112.06 -30.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -132.48 -73.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.825 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.34 -127.85 1.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.574 ' HA ' ' HE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -88.94 24.24 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -72.22 53.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.746 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 15.9 m95 -47.87 -34.41 8.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.981 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.55 -32.84 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.486 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -102.41 -37.01 8.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.874 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -54.23 -46.99 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 70.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.673 ' HG ' HD13 ' A' ' 88' ' ' LEU . 3.5 tp -165.98 -42.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.854 HD11 HG21 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -100.03 144.79 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.4 Cg_endo -74.95 87.67 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 145.97 5.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 28.7 mmt180 68.8 148.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 14.8 p -114.43 -148.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.67 -50.89 10.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -14.32 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.874 HG11 ' CG2' ' A' ' 84' ' ' ILE . 62.4 t -55.05 -52.34 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.4 ttpp -37.67 -62.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -58.31 -44.93 88.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.828 ' NE2' HD11 ' A' ' 104' ' ' ILE . 3.4 t60 -50.26 -22.65 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.913 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -67.28 -52.85 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 55.5 m-80 -83.81 0.15 48.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 47.5 t -75.05 -75.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.13 -8.38 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.913 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.1 mt -99.25 38.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.48 ' C ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.695 HG12 ' H ' ' A' ' 7' ' ' LYS . 13.6 t -105.06 -131.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.695 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.07 29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 122.67 78.23 0.43 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 8.6 m0 -66.87 160.68 25.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.5 p -152.59 170.63 19.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -42.3 -33.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -58.01 -45.14 87.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.875 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.64 -43.07 94.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LYS . 11.4 m-20 -67.09 -66.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.559 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 5.7 pt20 -38.13 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ASP . 14.2 tttt -76.36 -61.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.739 HG22 HG13 ' A' ' 33' ' ' ILE . 2.2 t -58.1 -16.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.605 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -82.79 -68.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' HG22 ' A' ' 19' ' ' ILE . 38.2 mt-10 -55.28 -19.16 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.944 HD13 HD13 ' A' ' 32' ' ' LEU . 13.1 mt -79.17 -65.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 18' ' ' VAL . 76.3 t -51.36 -20.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 23.4 mttt -72.21 -58.57 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -23.93 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.785 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.1 m-85 -84.53 -58.72 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 30.45 100.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 175.45 -64.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.699 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.3 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -107.7 86.7 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.766 ' CE3' HD13 ' A' ' 33' ' ' ILE . 26.6 m95 -91.89 -5.74 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.0 -42.31 97.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.944 HD13 HD13 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -51.13 -48.23 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.766 HD13 ' CE3' ' A' ' 30' ' ' TRP . 4.6 mp -54.55 -40.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.26 11.17 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -113.49 -38.23 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.814 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.3 m-70 -84.47 -17.37 39.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.875 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -143.52 116.2 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -122.26 113.41 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.92 -34.78 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -128.82 51.7 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 40.33 -166.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.65 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.64 -69.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.96 82.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.8 t -152.66 -47.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' CYS . 82.3 mtt180 -36.2 -33.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -67.08 81.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.61 -54.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.605 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -119.53 -17.12 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.039 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -42.19 75.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.549 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.584 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 75.0 m95 -63.66 176.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.05 -166.27 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mm-40 -75.31 -77.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -47.49 -31.89 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.5 mt-10 -67.43 -32.78 73.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.8 t0 -67.61 -54.75 17.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ILE . 16.3 mmm180 -54.87 -60.37 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.71 HG22 HD21 ' A' ' 88' ' ' LEU . 72.0 mt -37.63 -53.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.732 HD12 HG13 ' A' ' 96' ' ' VAL . 1.3 mm -52.77 -70.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -46.43 -23.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.832 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -77.15 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.984 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.85 -26.97 38.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.71 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 11.9 t-80 -76.45 -18.08 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -101.69 16.45 25.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.8 t -125.96 -40.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -111.94 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.71 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 157.08 -121.9 1.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.62 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.02 58.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -52.88 -33.67 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.04 -23.8 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' ARG . 11.7 mm-40 -113.77 -9.08 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.719 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -81.78 -39.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -72.67 -31.96 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -42.53 -29.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' ALA . 2.2 mp -78.34 -47.95 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.71 HD21 HG22 ' A' ' 69' ' ' ILE . 1.6 mm? -94.89 111.96 56.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 152.48 41.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.07 -31.22 6.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.722 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 34.3 mmt180 -103.52 134.96 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 20.2 p -91.42 -153.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -83.54 -47.8 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.66 -14.25 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.722 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -76.5 -67.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.732 HG13 HD12 ' A' ' 70' ' ' ILE . 67.0 t -57.47 -54.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.636 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.6 ttpp -39.18 -57.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -58.64 -44.0 89.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.115 ' CD2' HD11 ' A' ' 104' ' ' ILE . 8.6 t60 -58.07 -21.54 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.567 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.886 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.3 t-105 -67.29 -45.73 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 55.5 m-80 -89.36 0.85 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 16.0 m -74.16 -83.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.86 -5.79 6.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.115 HD11 ' CD2' ' A' ' 99' ' ' HIS . 6.4 mt -88.42 38.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 23.2 mmmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.686 HD23 ' HG2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 7' ' ' LYS . 1.1 t -100.43 -161.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.629 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -84.04 8.33 15.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 178.42 59.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HG2' HD23 ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.99 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.538 ' CE3' ' HB3' ' A' ' 14' ' ' GLU . 12.2 m0 -55.24 172.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 10.5 p -151.49 -163.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -49.71 -34.57 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.574 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.92 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.538 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 11.0 mp0 -51.31 -39.57 57.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -63.5 -28.52 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.574 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -66.5 -28.87 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.527 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 1.2 tttp -67.74 -48.67 65.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.73 HG21 HG23 ' A' ' 33' ' ' ILE . 1.9 t -50.5 -51.19 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.601 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -52.97 -39.6 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.85 -22.29 62.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -83.16 -72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.928 HG22 HD11 ' A' ' 33' ' ' ILE . 17.7 t -40.94 -29.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -70.24 -53.93 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -66.04 -23.23 66.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.639 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.7 m-30 -85.24 -59.45 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.667 ' C ' HG22 ' A' ' 27' ' ' THR . . . 41.54 106.29 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.671 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 165.19 -69.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.671 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 166.89 63.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -125.67 79.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.589 ' CZ3' ' HB3' ' A' ' 45' ' ' CYS . 38.6 m95 -85.09 -8.01 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 108.006 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.49 -41.39 80.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -51.77 -48.4 63.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.928 HD11 HG22 ' A' ' 22' ' ' VAL . 4.9 mp -57.19 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -25.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 31' ' ' THR . 1.4 tmmt? -80.93 -36.69 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 12.4 m170 -84.16 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.576 HD11 ' CG2' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -94.0 92.43 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 36.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.33 -15.23 64.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.67 164.2 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.05 -174.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.86 24.73 19.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -77.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -82.64 52.2 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.589 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -95.66 -52.78 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.0 mtt180 -60.81 80.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' CYS . 6.2 tt0 -149.66 -40.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH1' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -38.08 -34.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -117.23 -42.07 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.029 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.38 -71.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.621 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 42.9 m95 -62.34 -173.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.034 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.7 p -148.81 -163.28 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' ASP . 22.8 mm-40 -73.67 -76.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -44.88 -37.26 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.97 -34.26 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.7 t70 -69.72 -53.26 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 18.0 mmm180 -57.1 -57.99 10.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.513 ' CG2' HD13 ' A' ' 87' ' ' LEU . 65.9 mt -42.01 -73.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.645 HG21 HG13 ' A' ' 96' ' ' VAL . 30.0 mt -45.13 -55.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 24.0 t80 -47.97 -21.02 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -95.97 -45.53 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -53.66 -28.94 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.765 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.4 t-80 -72.23 -13.84 61.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 14.03 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -116.91 -34.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -126.82 -73.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.765 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.23 -118.17 0.84 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.44 19.38 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.35 57.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.674 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.5 m95 -52.66 -33.66 48.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.99 68.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -112.09 -9.83 13.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.641 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -79.31 -45.91 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 91' ' ' ARG . . . -57.92 -17.61 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -69.47 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.542 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -157.17 -37.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.781 ' N ' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -91.95 -175.45 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.583 ' CD ' ' CB ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 1.81 7.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.82 119.79 1.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 88' ' ' LEU . 30.3 mmt180 -148.5 18.97 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.476 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 69.3 p 42.3 -103.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.476 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -163.81 -44.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -15.7 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -73.76 -65.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.645 HG13 HG21 ' A' ' 70' ' ' ILE . 62.1 t -62.9 -48.45 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -38.61 -49.24 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.2 t-20 -74.04 -38.48 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.621 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.1 t60 -52.48 -19.12 2.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -72.41 -49.78 31.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.003 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 58.0 m-80 -87.89 -5.92 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.499 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 23.4 m -72.09 -75.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.8 m -134.71 -7.02 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.55 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 0.8 OUTLIER -99.05 33.74 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' C ' ' H ' ' A' ' 8' ' ' GLY . 12.0 t -83.71 -24.22 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -78.03 16.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.45 67.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 121.81 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.637 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.7 m95 -81.23 168.93 17.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 16.4 p -151.93 -164.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 ttpt -58.28 -34.16 70.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -50.82 -40.61 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 63.5 m-20 -63.08 -30.09 71.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -66.96 -25.81 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 10.5 tttt -67.97 -53.2 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.958 HG11 HG23 ' A' ' 33' ' ' ILE . 11.5 t -49.17 -50.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.536 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -58.11 -42.59 83.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.08 -11.82 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -83.23 -50.44 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.875 HG22 HD11 ' A' ' 33' ' ' ILE . 3.9 t -64.8 -26.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -41.24 60.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.34 -23.13 37.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 4.5 m-30 -86.2 -57.69 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 32.37 94.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.551 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -175.43 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.409 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 170.46 46.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.452 HE22 HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -113.34 94.8 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.729 ' HA ' HD13 ' A' ' 33' ' ' ILE . 33.2 m95 -115.26 -4.52 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -44.22 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.067 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.7 -23.61 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.067 ' N ' HD13 ' A' ' 32' ' ' LEU . 2.3 mp -67.91 -49.47 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.65 4.47 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 -18.18 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.808 ' CE1' HD23 ' A' ' 32' ' ' LEU . 9.5 m-70 -88.92 -41.84 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.637 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 2.0 mt -108.04 94.31 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -81.91 -162.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.45 -52.56 3.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.4 173.6 10.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.68 151.68 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -44.7 104.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLY . 7.6 tmtt? -39.41 94.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER 62.65 129.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.1 t -124.48 103.38 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.6 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.3 mtt180 66.54 87.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.25 29.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -178.66 -78.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 108.021 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -40.54 -34.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.604 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 85.0 m95 -102.55 -168.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.493 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -148.73 -165.81 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -77.64 -81.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.47 -27.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.493 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 27.8 mt-10 -70.31 -38.68 74.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.8 t0 -66.38 -49.67 66.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ILE . 19.2 mmm180 -54.52 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 73.9 mt -37.81 -47.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.78 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -56.61 -70.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 2.1 t80 -48.47 -22.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.823 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -76.8 -53.8 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.792 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -64.21 -27.5 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.704 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.5 t-80 -73.13 -15.83 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.55 16.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.8 t -126.16 -41.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.792 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -111.2 -76.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.704 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.87 -118.71 0.87 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 19.08 5.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.609 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.02 57.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.242 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.0 m95 -51.88 -34.34 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.93 -27.27 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.1 mm-40 -110.79 -8.2 14.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.81 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -80.87 -41.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -70.57 -15.66 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.89 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 69' ' ' ILE . 5.4 mp -74.33 -6.27 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.23 159.02 43.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.68 104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.893 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 72.2 mmt-85 -149.36 20.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.548 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 19.9 p 36.86 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -115.35 -37.24 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -14.07 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -80.25 -69.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.81 HG11 ' CG2' ' A' ' 84' ' ' ILE . 58.3 t -58.4 -54.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.0 ttpp -38.68 -63.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -55.71 -52.58 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.068 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.1 t60 -46.16 -25.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.848 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.0 t-105 -64.43 -68.12 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.014 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.8 m-80 -69.26 -3.5 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.6 m -72.8 -80.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -123.78 -13.13 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.068 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.6 mt -90.79 31.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 27.7 mmmt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.653 HG12 ' H ' ' A' ' 7' ' ' LYS . 5.8 t -75.09 -133.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.653 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.22 29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 110.79 80.04 1.08 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.63 10.09 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.849 ' CE3' HD22 ' A' ' 37' ' ' LEU . 8.8 m0 -76.7 144.58 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 p -134.83 -166.19 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -39.1 -56.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -44.27 -61.85 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.502 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 17.0 mp0 -52.12 -42.53 63.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.485 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -62.67 -37.52 86.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -59.06 -24.56 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' A' ' 21' ' ' LEU . 3.8 tttm -69.37 -50.77 43.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.854 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.0 t -48.83 -46.18 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.595 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -62.8 -32.9 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.12 -20.83 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.569 HD11 ' HD3' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -78.83 -50.69 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.899 ' CG2' HD11 ' A' ' 33' ' ' ILE . 91.8 t -60.02 -38.04 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -66.79 -34.03 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -82.1 -25.75 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.856 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.2 m-30 -85.42 -59.0 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.679 ' C ' HG22 ' A' ' 27' ' ' THR . . . 47.76 108.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.679 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 164.22 -68.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.353 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.659 ' H ' HG23 ' A' ' 27' ' ' THR . 0.7 OUTLIER 166.41 48.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.84 93.11 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.583 ' CZ2' ' O ' ' A' ' 45' ' ' CYS . 44.3 m95 -100.35 -10.82 20.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -70.6 -41.93 71.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.856 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.57 -47.63 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.899 HD11 ' CG2' ' A' ' 22' ' ' VAL . 5.1 mp -58.1 -47.55 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.38 6.0 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' THR . 14.6 ttpt -111.79 -35.0 5.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.753 ' C ' HD23 ' A' ' 37' ' ' LEU . 12.5 m-70 -84.64 -45.59 12.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.849 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -103.28 67.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.81 -177.88 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 89.41 -35.6 3.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.492 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -116.32 32.09 6.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 41.12 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 44' ' ' GLN . . . -128.7 17.84 5.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLY . 5.3 tttm -40.0 -30.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.3 tm0? -98.79 54.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 30' ' ' TRP . 20.2 p -91.26 17.26 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 50' ' ' HIS . 3.7 mtm105 -158.35 101.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 23.2 tt0 -175.44 110.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 2.6 tmt_? 87.79 -22.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -111.36 -32.46 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.035 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -92.56 -78.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.614 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.823 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.595 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 93.1 m95 -94.7 -172.3 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -131.15 -169.87 2.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.0 mt-10 -76.49 -74.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.3 mt-10 -47.65 -33.83 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 3.1 mt-10 -64.23 -26.43 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -75.91 -61.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 69' ' ' ILE . 11.3 ptp180 -56.71 -53.01 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.485 HG22 HD11 ' A' ' 88' ' ' LEU . 84.4 mt -46.19 -73.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.877 HG23 HG21 ' A' ' 84' ' ' ILE . 29.6 mt -45.57 -51.58 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -50.2 -22.81 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.843 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.7 mt-10 -94.66 -47.49 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 1.025 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.99 -19.42 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.781 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.6 t-80 -83.5 -18.69 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 7.82 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.8 t -115.24 -32.43 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.025 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -122.2 -69.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.781 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.35 -124.67 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.64 21.61 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.503 ' HD3' ' CG ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.54 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.673 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.9 m95 -51.29 -36.52 42.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.21 -24.11 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.503 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 7.0 mm-40 -102.94 -35.48 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.877 HG21 HG23 ' A' ' 70' ' ' ILE . 4.2 mm -55.4 -54.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -60.41 -38.18 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -60.45 -22.75 63.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.23 -13.94 39.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.619 HD13 HG12 ' A' ' 70' ' ' ILE . 5.2 mp -131.38 102.74 15.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 104.39 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.536 1.808 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.79 -24.34 0.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.684 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 26.8 mmt180 -133.56 155.63 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 30.1 p -96.91 -166.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.95 -47.13 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -14.75 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.684 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -81.57 -66.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.734 HG11 HG21 ' A' ' 84' ' ' ILE . 54.2 t -54.88 -55.39 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.626 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -36.85 -59.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.9 t-20 -59.74 -52.89 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.064 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.6 t60 -45.3 -25.6 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.821 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.7 t-105 -64.19 -68.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 107.972 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.7 m-80 -68.99 -3.89 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 68.4 m -72.17 -80.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.32 -13.28 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.064 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -90.18 29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' C ' ' H ' ' A' ' 8' ' ' GLY . 54.2 t -98.49 -25.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.58 18.37 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 167.3 71.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.48 6.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.68 ' CZ3' HD23 ' A' ' 37' ' ' LEU . 7.9 m95 -79.39 171.52 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.469 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 18.4 p -152.08 -162.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 1.9 tttt -64.29 -26.46 68.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.01 -71.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' HD21 ' A' ' 37' ' ' LEU . 72.2 mm-40 -50.65 -40.22 52.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.8 m-20 -64.14 -37.06 86.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -59.99 -24.47 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -70.0 -54.32 13.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.894 HG13 HG13 ' A' ' 33' ' ' ILE . 2.8 t -48.03 -49.19 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.665 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -56.41 -39.43 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.84 -16.34 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -85.72 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.736 ' CG2' HD11 ' A' ' 33' ' ' ILE . 91.9 t -48.22 -25.9 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -59.12 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -11.51 58.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.3 m-30 -95.43 -56.08 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.618 ' C ' HG22 ' A' ' 27' ' ' THR . . . 50.77 97.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.618 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 165.73 -60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.559 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 177.99 -81.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.735 ' O ' HD12 ' A' ' 33' ' ' ILE . 6.2 mt-30 40.2 53.05 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.603 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 37.9 m95 -65.92 -24.29 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -67.64 -42.27 82.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -54.36 -53.93 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.894 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -47.18 -80.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -42.51 -49.47 5.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.5 ttmt -59.87 -38.51 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.771 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.5 m-70 -84.12 1.37 44.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.688 ' CD1' HG21 ' A' ' 18' ' ' VAL . 51.2 mt -154.97 93.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -95.47 -172.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.88 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.25 -168.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.83 138.7 31.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.456 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -81.66 7.82 60.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.3 OUTLIER -62.2 -137.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' LYS . 17.9 pt20 35.19 34.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.543 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -119.33 -171.89 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.603 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 47.4 mtp180 36.48 73.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -147.17 -45.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.97 71.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.665 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 21.3 p90 -107.51 -26.25 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.12 -52.85 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.702 HD22 ' N ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.755 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 40.7 m95 -61.98 -175.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 p -144.39 -155.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.1 mt-10 -79.74 -82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -46.63 -27.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.5 mt-10 -71.48 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.3 t70 -66.37 -52.85 42.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 69' ' ' ILE . 29.6 mmm-85 -55.46 -62.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.653 ' CG2' HD21 ' A' ' 88' ' ' LEU . 52.3 mt -35.58 -50.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -53.83 -64.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.8 t80 -59.3 -14.81 12.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -84.84 -33.8 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.585 ' CB ' HD13 ' A' ' 84' ' ' ILE . . . -85.29 -29.43 24.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.753 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.9 t-80 -65.56 -14.14 60.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -103.54 15.09 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -119.51 -37.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.739 HD22 ' HD2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -120.97 -70.19 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.86 -116.76 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.27 20.04 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.739 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.6 55.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.3 m95 -51.71 -37.43 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -25.1 21.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.5 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 2.4 mm-40 -100.24 -41.32 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.057 HG21 HG11 ' A' ' 96' ' ' VAL . 4.0 mm -47.26 -44.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -68.84 -36.11 77.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -59.52 -19.23 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 mt -93.73 -16.31 24.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 84' ' ' ILE . 1.1 mp -129.77 101.41 18.51 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.96 -24.17 0.61 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.571 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 31.5 mmt180 -125.81 158.89 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.2 p -99.6 -164.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -50.6 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -14.22 35.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -75.64 -67.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.057 HG11 HG21 ' A' ' 84' ' ' ILE . 97.1 t -55.78 -53.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -61.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.9 t-20 -57.05 -41.92 79.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.755 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.6 t60 -53.24 -20.31 3.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.539 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -73.78 -43.78 57.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.459 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 54.0 m-80 -93.66 -0.92 55.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' ASN . 34.7 m -77.35 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 -6.83 3.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.842 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 16.3 mt -107.26 43.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.555 ' CD ' ' H ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.699 HD12 ' NZ ' ' A' ' 38' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.511 HG12 ' H ' ' A' ' 7' ' ' LYS . 2.8 t -69.32 -133.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 43.29 25.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 112.13 75.7 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.72 23.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.995 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.0 m0 -61.15 150.95 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' LYS . 31.0 p -139.81 -163.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.6 tttt -38.72 -53.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -44.25 -72.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.628 ' CD ' ' CE3' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -50.59 -40.33 52.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.593 ' HA ' HD11 ' A' ' 37' ' ' LEU . 14.0 m-20 -63.53 -28.45 69.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.43 -28.49 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.65 -46.73 68.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.768 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.0 t -52.75 -45.58 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.579 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -57.27 -40.86 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.63 -25.18 63.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.544 HD13 HD13 ' A' ' 32' ' ' LEU . 1.8 mt -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.958 HG22 HD11 ' A' ' 33' ' ' ILE . 3.4 t -52.52 -23.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -55.91 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.68 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -84.31 -58.53 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 31.15 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 178.43 -63.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 0.74 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.679 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.27 45.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.589 HE22 HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -114.25 87.09 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 33.5 m95 -93.65 -7.55 43.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.86 -40.67 91.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.68 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.01 -48.71 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.958 HD11 HG22 ' A' ' 22' ' ' VAL . 4.8 mp -57.97 -54.0 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.51 -5.3 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.4 tttt -99.78 -35.64 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.838 ' C ' HD23 ' A' ' 37' ' ' LEU . 11.6 m170 -84.27 -48.11 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.995 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -105.7 80.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.699 ' NZ ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -74.16 -166.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 90.39 -18.84 47.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -137.19 153.91 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.92 -175.53 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.02 25.09 9.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -53.37 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.366 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.0 48.2 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.578 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -81.16 -42.55 20.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -89.72 -146.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 tt0 85.2 59.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -165.02 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CZ3' HG13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -91.14 -10.64 41.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.991 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -33.16 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.648 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.667 HD22 ' N ' ' A' ' 51' ' ' ASN . 1.1 m-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 74.5 m95 -63.78 176.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.022 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 p -124.87 -156.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mm-40 -83.78 -82.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -26.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.599 ' OE1' HD13 ' A' ' 88' ' ' LEU . 2.3 mt-10 -71.86 -42.71 66.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.82 -46.48 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.7 mmm-85 -55.95 -63.38 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ALA . 68.1 mt -37.08 -68.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.984 HD13 HG13 ' A' ' 96' ' ' VAL . 30.0 mt -49.68 -46.79 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.66 -14.98 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' O ' HG21 ' A' ' 76' ' ' VAL . 2.9 pt-20 -127.58 21.41 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.971 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -121.57 -15.61 7.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.951 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 16.2 t-80 -90.56 -23.4 20.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.6 13.83 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 72' ' ' GLU . 4.2 t -118.76 -33.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.971 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -121.68 -76.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.726 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 169.1 -140.96 6.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.57 28.14 3.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.546 ' HD3' HD13 ' A' ' 77' ' ' LEU . 2.7 ptm85 -74.42 48.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.951 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.8 m95 -41.58 -34.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.42 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' HG3' ' A' ' 80' ' ' ARG . 5.3 mm-40 -112.5 -47.4 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.936 ' CG2' HG11 ' A' ' 96' ' ' VAL . 4.1 mm -42.68 -36.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -77.45 -45.78 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -49.62 -23.52 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.55 -39.3 58.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.599 HD13 ' OE1' ' A' ' 66' ' ' GLU . 13.1 mt -104.45 118.17 57.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.03 2.39 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.06 -25.32 1.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 25.4 mmt-85 -110.02 162.51 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 25.1 p -112.43 -55.86 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.3 -64.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -29.11 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -66.29 -66.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.984 HG13 HD13 ' A' ' 70' ' ' ILE . 58.7 t -56.45 -55.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.627 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -38.8 -66.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.1 t-20 -54.41 -53.9 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 28.6 t60 -43.44 -27.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 1.174 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 8.6 t-105 -62.8 -65.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.496 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 70.4 m-80 -75.69 -1.95 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 2.0 t -76.99 -74.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -114.98 -17.18 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.174 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 5.0 mm -86.8 28.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 15.2 mmtt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 8' ' ' GLY . 36.4 t -106.23 -26.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 22.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.09 66.72 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.773 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 7.9 m95 -76.36 170.52 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 19.9 p -152.16 -163.01 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLN . 10.5 tmtt? -60.21 -32.14 70.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -50.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 80.9 mm-40 -51.0 -39.62 56.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.419 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -64.92 -26.97 68.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.576 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.576 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 3.9 tttt -69.78 -39.52 76.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.058 HG11 HG23 ' A' ' 33' ' ' ILE . 7.4 t -64.32 -57.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.621 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -49.29 -29.65 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.19 -28.43 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.485 HD23 ' CE1' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -70.26 -41.13 73.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.599 ' CG2' HD11 ' A' ' 33' ' ' ILE . 44.4 t -69.6 -30.11 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -71.21 -27.85 63.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -26.82 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 26' ' ' GLY . 4.6 m-30 -86.82 -55.82 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.51 101.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 177.64 -66.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.444 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.651 ' H ' HG23 ' A' ' 27' ' ' THR . 12.8 tptt 178.65 37.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -111.44 91.67 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 50' ' ' HIS . 53.9 m95 -109.93 -12.54 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 -44.63 70.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.37 -18.95 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.058 HG23 HG11 ' A' ' 18' ' ' VAL . 17.1 mm -65.82 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -72.88 -30.64 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -27.98 68.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.781 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 11.8 m170 -84.19 -53.19 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.798 HD21 HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.67 96.22 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -84.06 -159.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.78 -56.89 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.68 166.12 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.99 116.65 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.812 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -56.85 -24.24 48.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -153.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 40.98 31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.48 -45.95 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -39.92 -54.33 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.91 86.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.52 -21.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.621 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -155.22 -38.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.05 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 12.4 t-80 -62.23 -39.15 91.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.6 m95 -61.84 175.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 59.8 p -135.63 -159.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASP . 4.3 mm-40 -78.04 -79.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 69' ' ' ILE . 6.4 mt-10 -44.67 -40.3 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 16.3 mt-10 -60.28 -36.88 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t0 -63.67 -52.71 59.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.8 mtp180 -59.44 -58.7 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.524 HG22 HD11 ' A' ' 88' ' ' LEU . 67.1 mt -34.92 -47.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -57.15 -66.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 1.5 t80 -58.71 -15.07 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -86.91 -17.54 32.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -105.39 -28.95 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.775 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 11.6 t-80 -70.62 -14.09 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -103.98 14.04 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -119.55 -40.03 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -116.96 -73.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.775 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.47 -124.72 1.42 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 25.07 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.8 57.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.732 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 15.0 m95 -53.12 -36.49 60.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.49 53.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -100.5 -35.05 9.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.848 HG21 HG11 ' A' ' 96' ' ' VAL . 4.2 mm -56.15 -52.61 48.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -62.59 -39.43 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -48.62 -28.47 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -34.66 30.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 88' ' ' LEU . 2.1 mp -114.62 105.81 53.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.62 8.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.64 -10.74 75.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.7 mmt180 -148.43 167.41 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 16.7 p -112.2 -171.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -66.14 -67.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -29.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -69.09 -65.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.848 HG11 HG21 ' A' ' 84' ' ' ILE . 98.0 t -53.96 -56.35 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -39.75 -69.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 102' ' ' SER . 5.2 t-20 -55.45 -52.51 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.713 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 26.5 t60 -44.48 -30.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 1.197 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 6.3 t-105 -59.48 -65.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.488 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.5 m-80 -74.22 -3.19 28.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.581 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 7.5 t -75.06 -75.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -115.95 -14.41 11.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.197 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 2.8 mm -88.25 28.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.488 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 6.1 mmtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 8' ' ' GLY . 14.0 t -107.68 -22.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 19.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 170.04 65.51 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 140.45 25.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.593 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 10.6 m95 -64.33 160.99 17.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.028 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.8 p -152.97 165.86 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' THR . 12.1 tttm -36.9 -49.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.61 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.07 -46.34 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.774 ' HB2' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -55.01 -41.31 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.459 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.9 m-20 -71.59 -70.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 2.5 pt20 -41.23 -36.57 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.693 ' HD3' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.65 -74.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 33' ' ' ILE . 2.9 t -39.77 -36.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.732 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -62.73 -67.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.3 tt0 -49.33 -21.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.773 HD13 ' CD2' ' A' ' 32' ' ' LEU . 6.0 mt -76.6 -64.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.873 HG22 HD11 ' A' ' 33' ' ' ILE . 11.4 t -50.36 -22.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.09 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -19.54 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.536 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -92.89 -57.01 2.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 25.48 93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -170.25 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.37 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.481 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 165.93 -7.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.507 ' H ' HG23 ' A' ' 27' ' ' THR . 9.2 mt-30 -69.65 83.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.617 ' HA ' HD13 ' A' ' 33' ' ' ILE . 25.7 m95 -91.35 -0.78 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.57 -43.98 58.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.886 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -50.83 -24.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 18' ' ' VAL . 2.8 mp -71.95 -45.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.681 ' HB2' ' HA2' ' A' ' 42' ' ' GLY . . . -101.49 22.72 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -117.45 -32.98 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.693 ' CE1' HD23 ' A' ' 32' ' ' LEU . 6.3 m170 -84.9 -12.87 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.774 HD13 ' HB2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -141.18 115.7 9.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.91 157.05 17.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.27 51.57 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER 170.45 158.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.13 137.92 33.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.681 ' HA2' ' HB2' ' A' ' 34' ' ' ALA . . . -68.01 -10.41 58.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.59 -147.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER 34.14 59.99 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 2.9 p -114.85 170.77 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.336 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.508 ' HB3' ' CD2' ' A' ' 50' ' ' HIS . 4.3 ptt180 35.15 88.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.7 38.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.51 -47.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.732 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -117.77 -8.15 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 108.016 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 25.3 t-80 -95.41 -40.25 9.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.623 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.3 m95 -62.94 173.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 p -130.07 -157.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mt-10 -81.68 -80.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -45.29 -33.51 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.7 mt-10 -66.11 -38.71 88.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -61.23 -53.51 55.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 69' ' ' ILE . 15.6 mmm180 -56.59 -64.87 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.528 ' C ' ' O ' ' A' ' 68' ' ' ARG . 87.1 mt -30.87 -46.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -58.5 -62.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.676 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -56.88 -56.1 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -56.53 -16.53 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -93.99 -39.69 10.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.799 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.1 t-80 -62.32 -13.41 28.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.577 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.23 15.3 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.5 t -120.15 -38.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.679 HD22 ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -122.0 -70.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.799 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 149.55 -119.93 1.1 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.56 21.53 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.533 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.6 55.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.68 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -51.63 -35.61 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.52 -24.36 55.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.679 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -100.31 -36.79 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.859 HG21 HG11 ' A' ' 96' ' ' VAL . 3.8 mm -53.54 -51.34 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -62.55 -33.95 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 1.85 28.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.418 HD22 ' OE1' ' A' ' 66' ' ' GLU . 9.4 mt -111.43 159.99 30.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.32 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -151.64 -142.55 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' GLY . 29.4 mmt180 55.52 164.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 45.5 p -122.02 -64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.413 ' N ' ' OG1' ' A' ' 92' ' ' THR . 2.1 p-10 -176.43 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -14.16 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.31 -64.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.859 HG11 HG21 ' A' ' 84' ' ' ILE . 92.4 t -54.33 -58.04 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.637 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -38.9 -61.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.7 t-20 -59.18 -54.85 42.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.734 ' CD2' HD11 ' A' ' 104' ' ' ILE . 11.7 t60 -44.33 -28.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.548 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 1.078 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 7.2 t-105 -62.37 -67.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.465 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.8 m-80 -71.93 -2.81 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.533 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 63.4 m -73.32 -80.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -116.0 -15.4 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.078 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.8 mt -88.86 32.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 14.7 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 8' ' ' GLY . 66.8 t -97.97 -26.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 23.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.7 70.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.59 6.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.667 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m0 -75.51 169.43 18.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.464 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.6 p -152.01 -172.98 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 tptt -49.51 -31.05 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -50.53 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 17.2 mp0 -50.87 -39.88 54.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 74.7 m-20 -63.12 -29.9 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -67.9 -26.97 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 17.5 tttt -65.56 -51.42 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.912 HG11 HG23 ' A' ' 33' ' ' ILE . 9.8 t -51.28 -56.1 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.55 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -54.08 -30.54 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.38 -24.23 32.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.639 HD13 ' CD2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -70.79 -43.43 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.705 ' CG2' HD11 ' A' ' 33' ' ' ILE . 45.6 t -70.55 -37.12 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -16.66 62.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.32 -23.62 12.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.637 ' CD2' ' NE2' ' A' ' 29' ' ' GLN . 4.4 m-30 -87.92 -57.28 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 41.74 101.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 174.45 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.391 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.694 ' H ' HG23 ' A' ' 27' ' ' THR . 0.9 OUTLIER 168.93 54.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.637 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 19.7 mt-30 -114.08 98.96 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.712 ' HA ' HD13 ' A' ' 33' ' ' ILE . 33.7 m95 -112.77 -6.11 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.062 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -84.48 -49.08 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.427 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.843 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -50.85 -23.49 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.912 HG23 HG11 ' A' ' 18' ' ' VAL . 2.3 mp -70.91 -45.23 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.18 18.71 16.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.73 -31.62 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.677 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 7.9 m170 -85.36 -51.9 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.667 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 5.9 mt -84.39 86.28 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -160.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -50.87 4.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.72 -178.55 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -72.55 149.99 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.57 144.69 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 80.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER 63.4 78.51 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.3 p -51.37 136.8 24.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 45.9 mtm-85 43.33 87.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -164.62 126.98 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 9.2 ttm-85 80.91 -3.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.619 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 7.0 m0 -129.5 -67.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.018 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -56.94 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.677 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.62 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 80.8 m95 -63.22 176.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.504 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -129.21 -166.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.25 -78.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.23 -27.16 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 20.7 mt-10 -72.33 -41.01 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.09 -50.89 72.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 69' ' ' ILE . 10.5 mtp180 -57.6 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.518 HD13 HD11 ' A' ' 88' ' ' LEU . 76.1 mt -33.56 -38.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -68.14 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.31 -53.46 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 pt-20 -54.24 -47.23 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -61.51 -40.25 93.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.78 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.0 t-80 -65.73 -13.58 59.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.581 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.55 7.14 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.7 t -118.25 -47.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.485 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -104.6 -76.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.86 -128.15 1.99 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 22.67 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.494 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.18 57.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.78 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -51.91 -34.74 42.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.5 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.629 ' OE2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -102.57 -30.15 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.877 HG21 HG11 ' A' ' 96' ' ' VAL . 7.1 mm -57.87 -48.48 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -66.04 -40.02 90.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -29.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.629 HD12 ' OE2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -74.58 -44.15 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 88' ' ' LEU . 1.6 mm? -95.93 113.17 61.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.15 -52.28 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.929 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 81.7 mmt-85 -85.54 152.05 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 42.5 p -110.61 -163.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.425 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -74.29 -64.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -42.14 -30.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.43 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -69.51 -65.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.877 HG11 HG21 ' A' ' 84' ' ' ILE . 93.5 t -57.02 -59.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.1 ttpp -36.63 -59.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' SER . 7.6 t-20 -58.08 -56.98 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.02 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.7 t60 -44.02 -27.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.744 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.0 t-105 -63.36 -70.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.036 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.449 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.7 m-80 -68.66 -4.02 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.491 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 70.6 m -71.78 -81.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -121.56 -12.68 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.02 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.1 mt -92.82 34.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 8.5 mmtt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.671 HG12 ' H ' ' A' ' 7' ' ' LYS . 11.7 t -92.1 -130.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.671 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.49 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.19 80.62 0.78 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 123.81 8.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.915 ' CE3' HD22 ' A' ' 37' ' ' LEU . 8.1 m0 -73.91 139.85 45.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.8 p -129.06 -164.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.366 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -42.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.13 -55.46 3.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.516 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -53.01 -43.71 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.642 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.1 m-20 -62.89 -43.73 97.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -52.3 -24.54 7.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 8.9 tttm -71.46 -51.49 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.918 HG13 HG13 ' A' ' 33' ' ' ILE . 1.8 t -47.55 -35.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.562 HD12 ' CZ2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -66.08 -47.06 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.29 -37.98 89.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.599 HD13 ' CE1' ' A' ' 36' ' ' HIS . 3.0 mt -67.06 -46.26 74.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.948 ' CG2' HD11 ' A' ' 33' ' ' ILE . 75.1 t -66.56 -15.01 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.07 -43.99 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -24.69 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 1.091 ' CD2' HD23 ' A' ' 32' ' ' LEU . 5.0 m-85 -85.42 -56.66 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.949 ' O ' HG23 ' A' ' 27' ' ' THR . . . 131.43 -108.71 0.82 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.949 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -179.42 55.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -132.66 -40.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 1.5 mp0 -73.41 -66.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.609 ' HA ' HD13 ' A' ' 33' ' ' ILE . 48.6 m95 68.73 4.69 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -79.28 -38.57 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.091 HD23 ' CD2' ' A' ' 25' ' ' TYR . 1.1 pp -54.44 -50.94 66.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.948 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.8 mp -46.37 -79.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . . . -45.89 -45.35 15.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 31' ' ' THR . 8.7 ttmt -56.65 -35.64 68.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' HD13 ' A' ' 21' ' ' LEU . 12.0 m170 -84.06 -66.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.915 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -86.22 60.77 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -66.51 -168.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 113.6 -42.06 2.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.66 34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' ALA . 3.0 mm? -92.06 -172.45 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.77 5.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.35 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 73.85 5.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 21.1 p -127.47 164.41 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 37.46 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -178.62 -40.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -20.99 23.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.617 ' CZ3' HG11 ' A' ' 22' ' ' VAL . 2.3 m0 -92.05 -43.25 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -62.42 -104.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.748 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.59 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 71.1 m95 -62.56 176.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.2 -166.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -74.45 -78.61 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.97 -34.62 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 22.5 mt-10 -65.47 -38.61 90.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.9 t70 -60.46 -52.6 64.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' ILE . 18.1 mmm180 -59.17 -61.41 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 77.9 mt -36.5 -50.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -57.07 -67.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -51.15 -19.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -80.2 -62.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -50.96 -36.39 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.731 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 13.8 t-80 -61.87 -14.25 32.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.57 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -121.55 -40.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -115.77 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.731 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 155.76 -119.54 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 22.12 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 56.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.6 m95 -52.52 -36.67 55.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.45 -23.39 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.649 ' O ' HD12 ' A' ' 87' ' ' LEU . 27.4 mm-40 -101.91 -33.95 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.072 HG21 HG11 ' A' ' 96' ' ' VAL . 5.8 mm -52.94 -50.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.52 -45.31 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.05 -29.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -76.02 -50.7 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.2 mt -94.62 118.26 66.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.58 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.78 -23.08 0.62 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.494 ' HG3' ' CH2' ' A' ' 62' ' ' TRP . 21.6 mmt180 -108.06 170.76 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 40.7 p -123.37 -65.56 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.435 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -172.42 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -14.33 29.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -77.06 -68.05 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.072 HG11 HG21 ' A' ' 84' ' ' ILE . 67.0 t -56.03 -54.48 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.3 ttpp -40.79 -61.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -55.54 -53.52 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.048 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.7 t60 -45.18 -26.43 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.833 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.7 t-105 -64.27 -68.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.1 m-80 -68.95 -3.33 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.473 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.2 m -72.84 -81.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.32 -13.64 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.048 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -89.95 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 16.1 mmmt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.452 ' C ' ' H ' ' A' ' 8' ' ' GLY . 65.1 t -74.99 -30.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.81 17.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.75 65.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.23 37.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.621 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 11.0 m95 -72.46 157.53 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.499 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.9 p -152.95 174.31 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.53 -31.11 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -63.5 -15.32 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' CD ' ' C ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -89.01 -42.92 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.607 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 10.5 pt20 -85.66 -42.39 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.5 ttmm -72.4 -51.75 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.864 HG13 HG13 ' A' ' 33' ' ' ILE . 3.0 t -55.85 -40.16 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.672 ' HA ' ' HH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -61.52 -53.06 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -17.6 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' A' ' 32' ' ' LEU . 1.3 mt -90.34 -48.41 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.871 ' CG1' HG23 ' A' ' 27' ' ' THR . 59.6 t -50.09 -23.77 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 13.3 ptpt -91.58 -43.82 9.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -70.38 -11.79 61.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CE1' HD23 ' A' ' 21' ' ' LEU . 3.3 m-85 -108.68 -49.54 3.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.82 -1.23 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.871 HG23 ' CG1' ' A' ' 22' ' ' VAL . 1.2 m 82.08 26.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 -67.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.701 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.8 mt-30 -74.39 83.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' CG ' ' A' ' 46' ' ' ARG . 27.9 m95 -67.59 -7.03 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -72.28 -42.25 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.92 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -51.45 -25.31 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.879 HD12 HD13 ' A' ' 32' ' ' LEU . 2.8 mp -71.94 -41.85 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.72 23.69 12.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -118.97 -32.8 4.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.689 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 6.0 m170 -84.19 -21.6 31.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.574 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.621 ' HB2' ' CH2' ' A' ' 10' ' ' TRP . 3.3 mm? -102.43 96.73 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 109.66 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 173.32 -30.95 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 79.68 60.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 3.0 mm? -86.47 -175.97 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.44 44.22 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -128.78 -74.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -70.69 61.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.6 p -100.15 140.83 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.586 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 50.4 mtt180 65.44 87.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -165.87 67.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -179.72 -42.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.742 ' CZ2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -109.98 -22.18 11.96 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.87 -72.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.745 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 22.5 m95 -65.16 -176.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 67' ' ' ASP . 7.5 m -157.38 -133.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 mt-10 -95.05 -77.05 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -40.09 -66.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.771 ' CD ' HD22 ' A' ' 88' ' ' LEU . 1.5 mt-10 -46.78 -29.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 6.6 t0 -63.82 -59.24 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' GLU . 53.1 mtp180 -57.64 -54.48 46.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ARG . 96.9 mt -38.8 -50.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.786 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -55.86 -69.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -50.38 -20.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -77.17 -44.2 31.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.589 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -73.7 -35.89 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.744 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.8 t-80 -65.83 -14.39 61.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -103.66 16.31 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 72' ' ' GLU . 6.5 t -125.88 -41.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.614 HD22 ' HG2' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -113.27 -77.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.744 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.99 -123.7 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 21.46 3.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.54 56.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.684 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.2 m95 -51.54 -34.62 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 108.032 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.76 -26.61 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.614 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -110.41 -19.73 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.681 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -69.62 -47.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -62.61 -24.89 67.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.09 1.22 24.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.771 HD22 ' CD ' ' A' ' 66' ' ' GLU . 25.3 mt -113.28 160.79 30.0 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.34 11.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -170.04 -135.34 1.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 90' ' ' GLY . 18.3 mmt180 55.35 165.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -119.89 -177.47 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -72.33 -43.67 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -14.25 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.42 -63.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 70' ' ' ILE . 57.6 t -59.89 -51.64 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 9.7 ttpp -43.43 -56.71 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -62.17 -36.76 82.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.073 ' CD2' HD11 ' A' ' 104' ' ' ILE . 9.6 t60 -61.2 -25.79 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.928 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.6 OUTLIER -64.8 -45.48 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.511 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 54.4 m-80 -89.96 1.47 56.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.527 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 28.8 t -75.39 -84.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.14 -7.13 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.073 HD11 ' CD2' ' A' ' 99' ' ' HIS . 7.3 mt -87.27 38.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 21.3 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.782 HD21 ' HA3' ' A' ' 39' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 7' ' ' LYS . 2.7 t -121.72 -143.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.71 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 38.39 28.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.51 78.59 0.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.64 7.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.591 ' CZ3' HD23 ' A' ' 37' ' ' LEU . 7.6 m0 -72.34 148.8 44.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.9 p -135.36 -167.79 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -40.32 -58.91 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -41.34 -56.97 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.7 mp0 -52.83 -44.92 67.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -62.2 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.571 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -53.93 -23.21 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.8 tttm -69.76 -53.46 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.867 HG13 HG13 ' A' ' 33' ' ' ILE . 2.2 t -45.77 -49.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.593 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -58.47 -37.7 65.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -76.65 -15.64 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -85.1 -59.95 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.763 HG22 HD11 ' A' ' 33' ' ' ILE . 2.7 t -57.49 -24.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -73.19 -56.16 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -68.73 -20.8 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.713 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.9 m-30 -85.11 -58.6 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.22 96.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.582 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -178.45 -59.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.582 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 166.58 54.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.558 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 31.3 mt-30 -120.28 97.15 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.745 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.5 m95 -113.91 -7.65 13.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.997 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -76.13 -39.98 53.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -52.97 -51.63 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.867 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -43.09 -47.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.62 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.5 ttpt -74.02 -37.89 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.5 m-70 -84.48 -59.3 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.591 HD23 ' CZ3' ' A' ' 10' ' ' TRP . 1.3 mt -87.88 76.41 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.94 -163.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.782 ' HA3' HD21 ' A' ' 5' ' ' LEU . . . 87.5 -33.68 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -174.9 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.2 mm? -69.95 141.34 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -35.72 129.76 0.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' GLN . 4.5 tptp -44.42 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.1 mp0 38.55 77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 26.6 p -48.47 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.621 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 6.0 mtp180 77.53 117.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER 165.6 -29.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -42.45 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -110.1 -23.35 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -40.51 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.71 HD22 ' N ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 91' ' ' ARG . 80.6 m95 -101.69 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 p -138.22 -167.75 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' ASP . 9.8 mt-10 -74.23 -73.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.6 mt-10 -46.02 -42.23 13.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.485 ' OE1' HD13 ' A' ' 88' ' ' LEU . 6.9 mt-10 -60.56 -23.17 64.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -78.88 -62.47 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 10.6 ptp180 -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.775 HG21 HD11 ' A' ' 87' ' ' LEU . 31.4 mt -56.52 -76.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 39.1 mt -43.13 -45.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 3.7 t80 -48.34 -36.36 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 1.013 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.6 pt-20 -97.33 -34.55 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.662 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -54.33 -19.29 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.915 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 7.6 t-80 -87.15 -21.73 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -99.12 11.77 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.9 t -115.09 -18.35 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 -61.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.721 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 146.51 -65.48 0.42 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -158.09 24.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -70.87 60.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.915 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 19.0 m95 -51.75 -36.0 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.91 60.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' ARG . 17.6 mm-40 -104.28 -27.13 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.966 ' CG2' HG11 ' A' ' 96' ' ' VAL . 6.1 mm -61.89 -40.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -75.01 -26.89 59.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 7.2 mttt -56.68 -40.66 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.775 HD11 HG21 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -74.62 -2.94 28.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.485 HD13 ' OE1' ' A' ' 66' ' ' GLU . 81.9 mt -117.88 161.53 33.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.97 3.28 5.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.538 1.809 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.97 -133.4 2.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.996 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 58.8 mmt-85 73.0 2.69 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.865 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 80.7 p 36.74 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -27.19 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.16 -16.92 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.996 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -89.52 -56.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.966 HG11 ' CG2' ' A' ' 84' ' ' ILE . 61.8 t -54.81 -52.68 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -51.13 -55.81 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.7 t-20 -59.86 -54.18 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.026 ' CD2' HD11 ' A' ' 104' ' ' ILE . 6.2 t60 -43.62 -28.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.828 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 3.4 t-105 -61.78 -68.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.005 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.2 m-80 -70.41 -4.14 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.531 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.3 t -71.34 -78.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.87 -12.65 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.026 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.8 mt -91.62 34.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 2.5 mmmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.56 HD22 ' HA2' ' A' ' 39' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.783 HG12 ' N ' ' A' ' 7' ' ' LYS . 32.4 t -82.88 -100.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.783 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -101.1 26.88 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.583 ' H ' ' HD3' ' A' ' 9' ' ' PRO . . . 99.1 64.66 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.583 ' HD3' ' H ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.0 138.82 23.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 1.08 ' CE3' HD22 ' A' ' 37' ' ' LEU . 28.4 m95 -112.7 -85.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.038 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.1 p 69.76 157.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttp -32.52 -38.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.63 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 2.3 tt0 -54.66 -28.81 49.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.768 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -67.86 -44.76 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.605 ' O ' HD13 ' A' ' 19' ' ' ILE . 12.9 m-20 -70.35 -65.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.95 -24.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.963 ' C ' HD12 ' A' ' 21' ' ' LEU . 9.7 mttt -71.94 -81.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.887 HG22 ' HA ' ' A' ' 33' ' ' ILE . 49.8 t -48.76 -23.22 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.631 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -76.73 -76.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.04 -13.9 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.963 HD12 ' C ' ' A' ' 17' ' ' LYS . 20.9 mt -84.1 -78.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 33' ' ' ILE . 55.9 t -42.24 -26.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.7 mmtp -71.62 -54.2 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -75.83 -11.47 59.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 26' ' ' GLY . 2.8 m-85 -96.44 -59.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.24 99.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -178.04 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.661 ' H ' HG23 ' A' ' 27' ' ' THR . 5.6 tmtt? 166.62 41.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -104.63 73.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.811 ' HA ' HD13 ' A' ' 33' ' ' ILE . 76.0 m95 -70.17 -18.82 63.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -65.97 -29.27 69.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.017 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.36 -20.6 64.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.887 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.0 mp -78.03 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.619 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . . . -66.35 -32.39 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' THR . 5.2 ttmm -64.84 -35.41 81.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.864 ' CD2' HD22 ' A' ' 32' ' ' LEU . 5.1 m-70 -102.39 29.08 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.08 HD22 ' CE3' ' A' ' 10' ' ' TRP . 46.2 mt -153.25 133.39 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 81.47 164.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.56 ' HA2' HD22 ' A' ' 5' ' ' LEU . . . -49.06 -22.29 3.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.3 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.614 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.2 mm? -64.32 -104.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' HA3' ' HA ' ' A' ' 34' ' ' ALA . . . 103.04 23.05 8.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -38.14 -32.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mt-30 -71.11 80.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 60.9 m -111.76 -175.44 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 30' ' ' TRP . 55.5 mtt180 38.13 51.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.24 49.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -150.09 -47.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.61 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -115.64 -36.65 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.143 . . . . 0.0 108.037 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -51.22 -58.47 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 3.8 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.611 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 60.5 m95 -64.23 173.49 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.1 p -131.28 -155.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.5 mm-40 -81.78 -82.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -34.6 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 31.7 mt-10 -64.17 -37.46 87.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t0 -66.57 -52.02 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -55.84 -60.52 3.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.6 mt -36.6 -49.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.447 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -52.98 -62.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 4.7 t80 -62.74 -14.99 51.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.537 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -87.71 -12.61 44.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.702 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -109.18 -33.61 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.745 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 16.3 t-80 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 14.95 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.7 t -121.16 -40.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -114.78 -73.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.745 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 157.99 -122.81 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.17 23.84 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 57.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.685 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.7 m95 -52.67 -36.3 56.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.38 -22.47 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.461 ' O ' HD13 ' A' ' 87' ' ' LEU . 25.1 mm-40 -102.59 -30.54 10.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.839 HG21 HG11 ' A' ' 96' ' ' VAL . 4.6 mm -59.61 -48.78 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -64.15 -34.06 77.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 4.5 mmtp -56.66 -37.99 71.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 83' ' ' GLU . 9.2 mp -74.51 -14.53 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.423 ' CD2' HG21 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -94.99 166.19 15.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 2.83 6.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.23 104.95 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.878 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 1.2 mmt180 -154.17 22.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.801 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 6.4 p 45.69 -174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -98.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.34 -30.21 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.878 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -67.7 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.839 HG11 HG21 ' A' ' 84' ' ' ILE . 89.1 t -53.39 -54.69 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.65 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -43.35 -64.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.9 t-20 -56.92 -51.67 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.991 ' CD2' HD11 ' A' ' 104' ' ' ILE . 6.0 t60 -44.82 -26.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.882 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.6 t-105 -63.81 -69.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.448 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.9 m-80 -67.82 -4.85 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 66.9 m -71.3 -79.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -122.39 -13.58 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.991 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.9 mt -92.05 35.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 5.0 mmtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.82 HD22 ' HA3' ' A' ' 39' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.591 HG12 ' N ' ' A' ' 7' ' ' LYS . 98.6 t -69.74 -105.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.591 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -84.01 35.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.686 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 79.67 47.85 7.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.77 ' C ' HG23 ' A' ' 11' ' ' THR . 11.8 m95 -115.93 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.2 p 70.11 -166.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -73.22 -18.59 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.64 -62.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.866 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -52.46 -22.09 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.618 ' O ' HD13 ' A' ' 19' ' ' ILE . 14.2 m-20 -89.95 -22.7 21.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -81.57 -26.51 34.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -82.43 -54.44 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.793 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.2 t -57.09 -29.98 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.63 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -72.82 -66.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HA ' ' CG ' ' A' ' 23' ' ' LYS . 3.0 tt0 -51.84 -20.17 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.626 HD13 HD13 ' A' ' 32' ' ' LEU . 10.4 mt -86.88 -50.75 6.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.831 ' CG1' HG23 ' A' ' 27' ' ' THR . 2.4 t -56.1 -38.85 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -73.19 -38.24 66.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -72.73 -21.8 60.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.881 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -94.61 -50.54 5.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 126.42 1.27 7.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.831 HG23 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 75.28 53.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 0.77 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -128.58 -62.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.56 78.27 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CE3' HD13 ' A' ' 33' ' ' ILE . 54.3 m95 -63.36 -14.64 52.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.15 70.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.881 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -50.63 -49.08 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.793 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.1 mp -52.32 -38.67 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.82 ' HB2' ' O ' ' A' ' 42' ' ' GLY . . . -97.47 12.76 32.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.68 -40.85 3.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.763 ' O ' HD23 ' A' ' 37' ' ' LEU . 8.4 m-70 -83.47 -16.43 45.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.866 HD22 ' HG3' ' A' ' 14' ' ' GLU . 5.9 mt -125.78 69.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -86.29 44.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.82 ' HA3' HD22 ' A' ' 5' ' ' LEU . . . -84.42 -32.24 22.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 ttt180 -170.83 78.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.554 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.29 97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.82 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -82.27 41.5 2.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -67.95 -23.42 65.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.05 77.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' LYS . 23.3 p -79.76 167.05 21.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' CYS . 75.4 mtm180 36.22 90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 33.5 tt0 -162.77 133.62 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 7.9 mmt85 66.2 19.39 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.63 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 1.2 t90 -140.27 -48.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER -98.46 -88.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.664 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.607 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 76.9 m95 -103.87 -170.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 108.04 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -137.99 -159.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.3 mt-10 -79.65 -77.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.81 -33.17 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.8 -34.85 78.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.5 t70 -69.87 -55.39 9.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ILE . 8.0 mtp180 -59.17 -61.77 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 72' ' ' GLU . 74.6 mt -39.77 -73.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 96' ' ' VAL . 35.8 mt -45.8 -53.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 3.7 t80 -54.4 -14.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -104.75 -43.95 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.575 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -49.97 -40.77 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.786 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.4 t-80 -61.77 -13.22 21.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.553 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.96 15.64 28.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.485 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -120.64 -39.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.786 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.92 -125.94 1.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.09 24.09 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 56.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.754 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.4 m95 -52.15 -36.45 51.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.82 -27.35 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.65 -34.83 10.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.008 HG21 HG11 ' A' ' 96' ' ' VAL . 5.2 mm -54.0 -52.17 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -62.84 -48.88 77.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -48.99 -27.59 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -36.21 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ALA . 20.4 mt -114.24 108.67 49.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 118.26 5.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.465 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . 144.56 -35.06 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 68.3 mmt-85 -120.08 157.02 29.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 0.744 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 20.1 p -103.84 -172.29 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -65.35 -65.42 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -29.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -69.5 -64.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.008 HG11 HG21 ' A' ' 84' ' ' ILE . 55.5 t -56.99 -56.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.61 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.1 ttpp -39.61 -58.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.6 t-20 -60.56 -39.81 89.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.607 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.2 t60 -55.15 -17.8 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.699 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -73.08 -49.44 28.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.428 ' HA ' ' HG2' ' A' ' 105' ' ' LYS . 58.8 m-80 -87.92 -5.6 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.516 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 48.7 m -71.7 -79.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -129.96 -10.64 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.699 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 2.2 mm -90.51 31.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.758 HD23 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 8' ' ' GLY . 7.5 t -86.67 93.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.83 19.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 95.01 83.97 1.64 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.758 ' HD2' HD23 ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.99 111.22 3.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.768 ' CH2' HD12 ' A' ' 37' ' ' LEU . 9.7 m0 -113.55 165.78 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.485 HG23 ' C ' ' A' ' 10' ' ' TRP . 71.3 p -154.71 172.94 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.8 tttt -39.81 -32.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.35 -51.05 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.858 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -54.1 -19.6 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.672 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -92.47 -28.55 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 4.6 pt20 -78.57 -30.15 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.17 -54.27 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.788 HG22 HG13 ' A' ' 33' ' ' ILE . 2.6 t -58.12 -24.37 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.693 HG22 ' N ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -71.91 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.693 ' N ' HG22 ' A' ' 19' ' ' ILE . 5.7 pt-20 -49.65 -22.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.716 ' HB3' HD13 ' A' ' 32' ' ' LEU . 33.0 mt -78.03 -61.7 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.76 ' CG2' HD11 ' A' ' 33' ' ' ILE . 2.6 t -56.16 -18.73 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -77.72 -51.28 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -19.22 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.902 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -93.71 -53.71 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.95 ' O ' HG23 ' A' ' 27' ' ' THR . . . 142.24 -99.9 0.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.95 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -178.37 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 0.807 . . . . 0.0 110.355 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.26 19.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 31' ' ' THR . 33.8 mt-30 -125.17 60.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.796 ' HA ' HD13 ' A' ' 33' ' ' ILE . 12.1 m95 -54.99 -19.65 7.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.041 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -56.49 -47.54 79.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.902 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -54.38 -19.59 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.796 HD13 ' HA ' ' A' ' 30' ' ' TRP . 4.6 mp -90.14 -43.64 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.584 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -94.73 19.96 9.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 31' ' ' THR . 3.5 ttmm -122.06 -40.07 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.738 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 4.9 m-70 -82.93 -8.53 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.858 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -136.65 95.41 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.73 77.56 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' HD22 ' A' ' 5' ' ' LEU . . . -152.54 -39.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' HB2' ' NE1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -127.81 -170.48 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.7 -173.5 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -148.69 84.65 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' N ' ' CZ3' ' A' ' 30' ' ' TRP . 7.2 tmtt? -169.3 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -96.46 85.45 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -163.52 -89.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.694 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -81.85 81.61 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.76 -49.94 7.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.3 44.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 10.9 t90 -155.92 -47.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.607 ' CE1' ' C ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.584 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.454 HD22 ' N ' ' A' ' 51' ' ' ASN . 1.3 m-80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.682 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 43.2 m95 -63.67 177.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 p -141.93 -155.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mt-10 -81.25 -83.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -25.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.478 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 6.7 mt-10 -72.11 -44.73 62.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLU . 7.8 t0 -60.37 -50.59 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ILE . 22.0 mmm180 -54.38 -65.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' ARG . 68.8 mt -36.66 -43.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -61.68 -70.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -45.47 -26.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 mt-10 -78.81 -73.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.41 -25.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.763 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.1 t-80 -67.05 -46.2 75.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.565 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.9 pttt -82.41 6.04 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.4 t -114.87 -13.93 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.652 HD12 ' CD1' ' A' ' 84' ' ' ILE . 1.6 mt -127.85 -48.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.5 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 97.12 95.07 1.89 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.514 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 44.02 22.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.24 49.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.763 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 8.9 m95 -45.61 -34.38 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 108.024 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.88 -23.66 19.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ARG . 14.3 mm-40 -115.76 -45.99 2.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.803 HG21 HG11 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -42.62 -33.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.832 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -79.5 -44.04 22.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' GLU . 12.0 mtpt -50.92 -24.21 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -35.82 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.451 HD11 HG22 ' A' ' 69' ' ' ILE . 6.3 mp -107.42 114.96 60.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.58 5.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.89 1.93 23.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.832 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 14.4 mmt180 -132.83 125.67 30.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.2 p -88.29 -174.48 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 12.8 p-10 -72.56 -31.12 65.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -17.06 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -61.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.803 HG11 HG21 ' A' ' 84' ' ' ILE . 42.4 t -65.21 -59.78 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 12.0 ttpp -34.52 -43.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 8.2 t-20 -73.55 -58.15 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.034 ' CD2' HD11 ' A' ' 104' ' ' ILE . 6.0 t60 -44.84 -27.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.783 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 4.0 t-105 -63.34 -68.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.2 m-80 -69.75 -3.55 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 71.1 m -72.17 -81.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -121.69 -13.05 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.034 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.5 mt -91.81 34.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.1 mmmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.562 HG12 ' H ' ' A' ' 7' ' ' LYS . 3.7 t -95.77 -133.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.44 29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.94 79.55 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.93 18.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.666 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.1 m0 -85.07 157.53 20.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 14' ' ' GLU . 31.7 p -147.66 -164.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -39.27 -54.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -44.76 -40.57 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.93 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.5 -48.03 80.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.505 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -61.19 -43.82 98.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -55.49 -21.61 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -70.83 -58.78 3.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.838 HG13 HG13 ' A' ' 33' ' ' ILE . 41.8 t -44.59 -32.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.63 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -71.12 -51.7 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -25.53 67.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -74.44 -63.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.819 HG22 HD11 ' A' ' 33' ' ' ILE . 77.3 t -47.85 -21.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -75.62 -47.13 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -3.54 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 3.2 m-85 -108.53 -53.55 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.93 ' O ' HG23 ' A' ' 27' ' ' THR . . . 117.11 -92.63 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -179.89 36.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.791 . . . . 0.0 110.426 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -34.72 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 32' ' ' LEU . 22.9 mt-30 -109.61 70.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.414 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 58.3 m95 -62.9 -11.6 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.575 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.18 -43.52 77.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.928 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -52.27 -25.62 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.838 HG13 HG13 ' A' ' 18' ' ' VAL . 1.9 mp -75.21 -42.81 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.46 16.82 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -116.37 -24.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.761 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 9.0 m170 -89.73 -49.35 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.93 HD22 ' HG3' ' A' ' 14' ' ' GLU . 3.4 mt -83.96 80.76 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -74.5 -165.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.63 -51.86 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.6 -175.88 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.18 177.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.37 -122.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.67 72.23 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 65.28 100.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.0 p -79.91 121.44 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 63.29 88.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -171.17 44.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.42 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.48 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.57 -31.57 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.032 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.85 -42.27 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.706 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 45.1 m95 -61.02 172.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.0 p -134.5 -156.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mm-40 -78.37 -81.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.05 -37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 20.7 mt-10 -61.98 -41.03 97.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -59.37 -54.79 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.2 mmp_? -54.92 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 68' ' ' ARG . 84.6 mt -33.78 -50.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 84' ' ' ILE . 1.0 OUTLIER -54.31 -65.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 1.9 t80 -61.08 -13.16 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -94.18 -12.95 27.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.62 ' CB ' HD13 ' A' ' 84' ' ' ILE . . . -111.83 -18.06 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.864 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 30.1 t-80 -76.0 -24.4 55.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 11.7 33.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -112.33 -24.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -122.15 -60.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.646 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.3 -54.92 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -161.34 24.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.434 ' CG ' ' HG3' ' A' ' 83' ' ' GLU . 3.2 mpt_? -71.87 61.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.864 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 15.6 m95 -55.17 -37.13 66.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.12 -16.51 13.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 3.6 mt-10 -109.83 -40.59 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.841 HG21 HG11 ' A' ' 96' ' ' VAL . 5.7 mm -47.24 -40.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.56 -38.11 88.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 38.0 mttt -50.53 -21.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.66 -31.0 18.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.4 mm? -93.65 159.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 83.11 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.9 98.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.575 ' HD2' ' CH2' ' A' ' 62' ' ' TRP . 30.2 mmt180 -146.2 16.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' ARG . 22.4 p 36.65 -105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.95 -46.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.75 -14.99 24.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -74.94 -67.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 84' ' ' ILE . 92.9 t -56.39 -58.96 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.8 ttpp -38.44 -59.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.64 -40.13 86.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.82 ' NE2' HD11 ' A' ' 104' ' ' ILE . 3.4 t60 -59.48 -25.16 64.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.983 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.6 t-105 -66.81 -47.93 70.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.031 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 58.9 m-80 -87.83 1.19 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.529 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 47.7 m -76.7 -77.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.21 -8.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.983 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.1 mt -98.14 39.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.536 ' C ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.655 HD13 ' C ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.808 HG12 ' N ' ' A' ' 7' ' ' LYS . 24.2 t -71.52 -99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.808 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.0 34.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.0 49.33 7.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.656 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.678 ' CZ3' HD13 ' A' ' 37' ' ' LEU . 10.6 m0 -113.17 164.97 12.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.4 p -153.03 170.85 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 3.5 tttt -42.56 -32.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.649 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.92 -44.87 94.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.602 ' HB3' HD22 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -56.57 -40.21 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.459 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.2 m-20 -73.86 -68.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.649 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.47 -24.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 21' ' ' LEU . 16.2 mttt -70.35 -80.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.101 HG21 HD11 ' A' ' 37' ' ' LEU . 39.2 t -41.88 -26.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.674 HG22 ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -72.53 -82.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.674 ' N ' HG22 ' A' ' 19' ' ' ILE . 4.0 mt-10 -52.64 -18.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.964 HD13 HD13 ' A' ' 32' ' ' LEU . 77.9 mt -76.52 -65.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 26' ' ' GLY . 2.1 t -49.57 -24.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -34.64 50.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 21' ' ' LEU . 4.1 ttpt -93.85 -5.38 48.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.993 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.0 m-85 -111.43 -52.3 2.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 27' ' ' THR . . . 120.78 -106.68 1.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.14 54.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.392 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.27 -40.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.574 ' OE1' ' CD2' ' A' ' 25' ' ' TYR . 4.8 mt-30 -74.83 -66.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 46' ' ' ARG . 37.5 m95 68.64 -0.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -76.3 -39.06 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.993 HD23 ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -52.46 -46.97 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.754 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.6 mp -54.46 -38.09 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.497 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . -94.68 10.48 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -117.91 -42.23 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.821 ' O ' HD23 ' A' ' 37' ' ' LEU . 7.7 m-70 -84.22 1.86 42.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.101 HD11 HG21 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -141.05 142.75 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.655 ' C ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 79.8 139.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.48 0.18 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -170.03 -52.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 3.3 mm? -63.89 -169.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.497 ' HA3' ' CB ' ' A' ' 34' ' ' ALA . . . -172.67 30.94 0.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.89 -29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.8 tt0 -82.89 56.45 3.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -89.55 164.08 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.57 ' HG2' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 36.32 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.64 54.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HG2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -154.5 -44.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -121.53 -8.0 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -80.77 -54.48 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 2.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.581 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 71.8 m95 -62.8 175.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 -166.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mt-10 -75.13 -79.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.43 -33.21 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.8 mt-10 -66.64 -40.98 88.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 10.5 t0 -60.34 -53.16 60.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ILE . 28.1 mmm-85 -54.87 -61.73 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' ARG . 68.6 mt -37.67 -43.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -63.36 -68.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -49.47 -20.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.705 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -82.05 -69.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.673 ' HB3' HD13 ' A' ' 84' ' ' ILE . . . -48.39 -37.85 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 32.0 t-80 -59.12 -29.37 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.571 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.5 pttt -93.62 11.03 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 72' ' ' GLU . 12.5 t -117.9 -20.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.593 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -123.77 -63.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.609 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.8 -57.62 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.78 23.91 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.85 59.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -52.91 -36.21 59.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.85 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.593 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -105.26 -30.12 9.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.009 HG21 HG11 ' A' ' 96' ' ' VAL . 8.2 mm -54.35 -49.1 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.85 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -62.78 -35.65 80.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.18 -18.85 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.994 ' O ' HD23 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -93.23 16.69 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -138.11 179.34 1.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.49 112.91 1.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.898 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -153.12 21.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.322 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.85 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 25.0 p 43.3 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.11 -46.67 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.8 OUTLIER -50.83 -32.64 20.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -66.59 -64.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.009 HG11 HG21 ' A' ' 84' ' ' ILE . 73.9 t -54.95 -62.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.3 ttpp -38.24 -58.08 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 94' ' ' ASN . 18.5 t-20 -58.15 -54.56 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.044 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.6 t60 -44.9 -26.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.825 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.6 t-105 -64.23 -68.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.96 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.46 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.4 m-80 -69.23 -3.43 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.4 m -72.4 -80.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.09 -13.37 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.044 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -90.29 30.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.461 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 4.9 t -132.03 -43.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 6.69 10.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 179.26 61.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.01 165.47 31.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 1.225 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.9 m0 -53.5 150.13 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' LYS . 43.9 p -133.7 -166.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -37.37 -60.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -41.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.617 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -51.33 -37.76 49.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 14.6 m-20 -64.06 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -60.74 -31.51 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 27.9 tttt -68.58 -46.16 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.963 HG13 HG13 ' A' ' 33' ' ' ILE . 2.1 t -49.1 -53.62 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.629 HD12 HG12 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -55.26 -33.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -20.33 63.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 32' ' ' LEU . 1.3 mt -83.72 -63.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.797 ' CG2' HD11 ' A' ' 33' ' ' ILE . 3.9 t -48.75 -24.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 -63.5 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -12.71 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.856 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.3 m-30 -94.72 -56.16 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.727 ' C ' HG22 ' A' ' 27' ' ' THR . . . 51.19 102.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.727 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.6 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.383 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' H ' HG23 ' A' ' 27' ' ' THR . 2.9 ttmt -179.82 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 33' ' ' ILE . 3.1 mt-30 40.39 42.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.734 ' HA ' HD13 ' A' ' 33' ' ' ILE . 28.6 m95 -64.64 -13.24 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -78.97 -42.42 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.856 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -54.04 -53.85 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.963 HG13 HG13 ' A' ' 18' ' ' VAL . 4.4 mp -38.79 -72.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 42' ' ' GLY . . . -60.18 -57.91 10.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -42.42 -27.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.714 ' C ' HD23 ' A' ' 37' ' ' LEU . 8.8 m-70 -86.37 -52.94 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.225 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -102.22 98.72 8.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -106.29 -168.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.0 26.26 69.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER 170.92 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.271 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.502 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 32.7 93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.694 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -68.72 55.73 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -125.5 -138.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' LYS . 6.6 tm0? 34.42 35.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -113.05 -36.21 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -34.08 -40.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.2 60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.73 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.613 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.94 -15.43 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.03 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -107.15 -31.04 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 109.57 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.622 HD22 ' N ' ' A' ' 51' ' ' ASN . 1.2 m-80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.65 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 52.2 m95 -63.39 172.39 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 78.0 p -132.97 -158.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.7 mm-40 -77.76 -79.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -40.62 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 1.3 mm-40 -60.55 -37.63 81.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.2 t70 -62.29 -50.92 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.8 mmp_? -60.76 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.027 HG21 HD11 ' A' ' 88' ' ' LEU . 81.2 mt -36.77 -50.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.725 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -55.07 -65.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -47.67 -31.48 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.958 ' O ' HG23 ' A' ' 76' ' ' VAL . 7.6 mt-10 -70.03 -63.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.984 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -53.27 -27.31 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.723 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.1 t-80 -77.02 -23.38 52.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -97.37 12.02 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.0 t -118.72 -33.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -121.42 -76.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.723 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.45 -123.77 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 21.92 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.02 56.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 14.8 m95 -50.94 -33.97 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.997 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.06 71.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 87' ' ' LEU . 4.2 mm-40 -106.57 -9.65 16.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.758 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -82.09 -42.17 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -79.41 -32.68 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -70.66 -6.98 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.673 HD13 ' HB1' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -75.08 -9.86 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.027 HD11 HG21 ' A' ' 69' ' ' ILE . 11.5 mt -144.55 151.01 49.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 84.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . 141.8 152.44 5.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.65 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 1.7 mpp_? 75.2 137.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -99.71 -168.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.359 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -48.94 22.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -14.89 24.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB1' ' HG3' ' A' ' 91' ' ' ARG . . . -77.74 -65.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.758 HG11 ' CG2' ' A' ' 84' ' ' ILE . 57.6 t -60.55 -50.2 81.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.634 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 10.4 ttpp -40.85 -61.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' SER . 5.3 t-20 -58.3 -53.32 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.007 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.9 t60 -44.58 -27.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 3.1 t-105 -63.17 -69.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.473 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.7 m-80 -68.93 -4.08 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.3 m -72.03 -81.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 -13.8 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.007 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.6 mt -91.69 34.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 7' ' ' LYS . 6.5 t -113.76 -133.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.678 ' H ' HG12 ' A' ' 6' ' ' VAL . 3.8 mmmt 37.79 30.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 126.59 79.08 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.59 ' HE3' HD23 ' A' ' 37' ' ' LEU . 10.0 m95 -72.1 133.02 44.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 54.4 p -120.54 -163.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -61.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -44.07 -41.17 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 10' ' ' TRP . 2.0 mp0 -67.16 -43.84 81.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -61.51 -60.21 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -45.47 -25.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.759 ' HD3' HD11 ' A' ' 21' ' ' LEU . 1.2 tttm -64.15 -56.68 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.937 HG13 HG13 ' A' ' 33' ' ' ILE . 2.6 t -43.72 -53.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.782 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -56.7 -33.46 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LYS . 2.2 tt0 -82.82 -16.18 48.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.759 HD11 ' HD3' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -83.48 -45.84 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 18' ' ' VAL . 2.5 t -67.31 -33.83 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -36.14 71.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.69 -26.71 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.704 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 4.2 m-30 -84.69 -55.14 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.716 ' C ' HG22 ' A' ' 27' ' ' THR . . . 56.7 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.716 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.96 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.436 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.536 ' H ' HG23 ' A' ' 27' ' ' THR . 0.2 OUTLIER 177.12 -80.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 33' ' ' ILE . 5.8 mt-30 40.28 49.04 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.649 ' HA ' HD13 ' A' ' 33' ' ' ILE . 24.6 m95 -68.88 -8.74 46.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.04 -37.92 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.78 -55.71 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.937 HG13 HG13 ' A' ' 18' ' ' VAL . 4.4 mp -39.34 -60.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 36' ' ' HIS . . . -63.46 -64.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -25.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.613 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.6 m-70 -87.32 -56.86 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.621 ' CD1' HG21 ' A' ' 18' ' ' VAL . 3.9 mt -107.99 121.67 45.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 81.74 118.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.26 -16.27 26.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -98.68 -160.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 3.3 mm? -64.93 -12.98 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.63 -122.08 3.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -167.17 46.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 83.39 47.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.339 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -58.27 179.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 73.59 -58.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.62 77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER 178.13 -53.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.782 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -125.5 0.81 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.035 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' A' ' 46' ' ' ARG . 45.7 t-80 -102.0 -76.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.648 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.433 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.561 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 69.0 m95 -61.86 175.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 108.044 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 p -121.37 -157.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASP . 6.2 mm-40 -81.52 -80.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.84 -32.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.618 ' OE1' HD22 ' A' ' 88' ' ' LEU . 2.5 mt-10 -66.27 -39.48 89.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -67.99 -48.72 64.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -58.31 -62.03 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' ALA . 77.6 mt -37.62 -69.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.946 HD13 HG13 ' A' ' 96' ' ' VAL . 38.9 mt -48.42 -49.55 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -61.27 -14.79 29.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mm-40 -125.63 19.18 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.755 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -116.76 -26.79 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.92 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 12.3 t-80 -78.32 -19.74 52.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 18.01 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 3.3 t -126.82 -40.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -109.79 -76.8 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.715 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 165.8 -139.93 6.07 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.44 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.0 17.24 15.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HD3' ' CB ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.63 55.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.92 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.7 m95 -46.71 -34.34 5.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.032 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.83 -16.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 81' ' ' TRP . 27.7 mm-40 -109.53 -44.22 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.045 HG21 HG11 ' A' ' 96' ' ' VAL . 3.4 mm -44.26 -45.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -68.31 -44.92 74.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -45.98 -31.91 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.59 -39.35 52.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 84' ' ' ILE . 1.5 mp -108.14 102.01 44.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.41 7.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.48 -27.49 2.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.712 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 31.1 mmt180 -119.43 154.81 33.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.408 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 24.1 p -95.56 -170.22 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -73.68 -47.6 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -14.08 38.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.712 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -77.78 -68.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.045 HG11 HG21 ' A' ' 84' ' ' ILE . 58.2 t -55.36 -50.51 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.7 ttpp -42.33 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.19 -50.58 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.588 ' HA ' ' CB ' ' A' ' 102' ' ' SER . 23.7 t60 -44.54 -29.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 1.187 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.4 t-105 -59.23 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.478 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 67.9 m-80 -73.34 -3.78 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.588 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 12.6 t -73.69 -76.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -116.87 -12.91 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.187 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 4.0 mm -89.57 28.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 1.7 mmtm . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.434 ' C ' ' H ' ' A' ' 8' ' ' GLY . 24.6 t -118.85 -25.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -79.49 15.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . -178.19 64.45 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 10.4 m95 -65.17 158.5 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.4 p -152.86 165.41 35.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 5.1 ttmt -37.54 -35.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.642 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -53.92 -46.92 71.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.703 ' HB2' HD13 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -54.79 -42.84 72.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.511 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.5 m-20 -75.19 -72.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.642 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -35.74 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' ASP . 6.2 ttmt -74.35 -73.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.939 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.7 t -42.29 -35.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -65.93 -48.15 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . 3.5 tt0 -64.97 -25.32 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD13 ' CD2' ' A' ' 32' ' ' LEU . 1.1 mt -76.89 -56.2 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 18' ' ' VAL . 16.7 t -55.82 -19.82 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -46.06 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -14.18 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.597 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -97.82 -56.87 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 19.68 94.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -165.86 -55.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.423 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.4 mttt 166.26 -10.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.482 ' H ' HG23 ' A' ' 27' ' ' THR . 30.9 mt-30 -69.38 82.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.674 ' HA ' HD13 ' A' ' 33' ' ' ILE . 25.2 m95 -89.46 2.21 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 108.024 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -74.33 -46.49 40.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -52.15 -23.97 6.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.903 HG13 HG13 ' A' ' 18' ' ' VAL . 2.5 mp -73.41 -46.24 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.61 21.31 11.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 31' ' ' THR . 20.8 ttpt -118.66 -33.6 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.708 ' O ' HD23 ' A' ' 37' ' ' LEU . 7.2 m170 -84.08 -3.98 58.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -147.8 115.79 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 143.87 44.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.06 4.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.68 179.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.86 179.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.85 -112.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -172.18 80.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER 40.49 92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.469 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 14.9 p -80.35 160.13 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 36.58 79.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -177.03 42.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.32 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.52 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -113.57 -20.16 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.026 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -90.0 -43.11 10.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.613 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 46.9 m95 -62.82 173.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.032 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.8 p -135.31 -161.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.5 mm-40 -74.75 -77.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.44 -42.1 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.2 mt-10 -60.8 -34.14 74.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.8 t70 -63.06 -56.34 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.2 mtp85 -56.88 -58.08 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.469 HG21 HD21 ' A' ' 88' ' ' LEU . 93.7 mt -38.64 -53.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.622 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -53.81 -70.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -46.51 -23.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -76.79 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.989 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -57.79 -26.45 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.708 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.2 t-80 -77.14 -16.92 58.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 12.8 36.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.1 t -121.9 -40.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.989 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -113.3 -76.32 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.708 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 156.16 -120.07 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.167 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.2 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.03 57.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -51.88 -33.53 37.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.423 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -62.6 -28.69 70.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -108.87 -9.66 15.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.687 HG21 HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -81.41 -43.48 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -73.03 -38.26 66.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 82' ' ' ALA . 21.9 mtmt -65.15 70.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 88' ' ' LEU . 2.9 mt -153.64 -44.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.68 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -119.03 162.38 31.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 87.93 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 91' ' ' ARG . . . 149.26 142.22 3.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.756 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 16.1 mmt180 78.08 152.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.473 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 12.5 p -117.63 -51.89 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -173.49 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -19.98 64.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 91' ' ' ARG . . . -67.05 -63.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.687 HG11 HG21 ' A' ' 84' ' ' ILE . 59.1 t -61.13 -51.96 67.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.621 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -56.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.88 -54.28 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.05 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.8 t60 -45.92 -25.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.827 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.0 t-105 -64.29 -68.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.458 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.8 m-80 -68.79 -3.46 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 67.1 m -72.97 -80.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.31 -13.44 7.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.05 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.3 mt -90.73 30.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.8 mmmm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.8 t -95.05 -14.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 11.5 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.37 66.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.55 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 1.294 ' CE3' HD22 ' A' ' 37' ' ' LEU . 9.3 m0 -64.26 132.26 49.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -109.17 -164.12 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' GLN . 2.1 tttp -43.71 -58.99 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -42.75 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.642 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -50.33 -38.38 41.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.38 -29.21 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.582 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -63.92 -31.13 72.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 14.2 tttt -66.44 -47.53 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.062 HG23 HD21 ' A' ' 37' ' ' LEU . 1.8 t -56.71 -46.7 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.688 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -53.1 -35.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.85 -24.27 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 32' ' ' LEU . 1.7 mt -80.91 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.022 ' CG2' HD11 ' A' ' 33' ' ' ILE . 42.0 t -52.15 -23.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.86 -23.36 67.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.663 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.6 -59.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 37.5 102.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 173.76 -65.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.78 . . . . 0.0 110.409 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.688 ' H ' HG23 ' A' ' 27' ' ' THR . 8.2 mttt 166.73 41.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -104.39 83.16 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.749 ' CE3' HD13 ' A' ' 33' ' ' ILE . 25.7 m95 -94.58 -2.79 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.01 -44.55 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -49.96 -50.18 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.022 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.9 mp -53.58 -61.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.854 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -61.65 -17.08 53.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.7 ttmm -101.74 0.56 36.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.788 ' C ' HD23 ' A' ' 37' ' ' LEU . 5.6 m-70 -113.82 -48.64 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.294 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -99.98 95.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -170.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.5 18.92 16.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -159.81 146.08 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 mm? -71.58 -179.86 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.854 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -126.48 -1.12 7.22 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -70.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.31 52.67 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -90.2 -9.71 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.604 ' HB3' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -113.87 -164.15 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 tt0 83.79 52.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -161.03 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.688 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -90.37 -12.81 36.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.014 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -42.4 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 72.1 m95 -63.55 176.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.48 -166.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.4 mm-40 -74.52 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -44.9 -37.52 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.86 ' OE2' HD13 ' A' ' 88' ' ' LEU . 12.7 mt-10 -61.17 -35.0 75.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.6 t70 -70.12 -54.59 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -56.58 17.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 73.9 mt -41.77 -71.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.894 HD13 HG13 ' A' ' 96' ' ' VAL . 32.9 mt -45.76 -51.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.505 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -54.78 -15.16 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -106.73 -50.52 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -49.04 -39.37 27.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.851 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 8.1 t-80 -62.22 -14.53 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -106.58 25.83 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.2 t -137.18 -43.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.802 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -99.64 -74.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 126.62 98.46 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.491 ' H ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 43.8 22.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.495 ' CD ' ' HB3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -78.53 50.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.851 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.0 m95 -48.38 -37.76 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -22.67 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.802 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -106.96 -39.52 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.952 HG21 HG11 ' A' ' 96' ' ' VAL . 5.3 mm -47.18 -49.67 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -62.99 -40.5 97.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.43 60.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 87' ' ' LEU . 11.2 mt -152.32 -41.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.86 HD13 ' OE2' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -94.0 163.19 24.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -147.08 -150.24 5.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.449 ' HD2' ' CZ3' ' A' ' 62' ' ' TRP . 67.4 mmt-85 54.4 166.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.567 ' H ' ' HB3' ' A' ' 95' ' ' ALA . 2.1 p -144.47 176.94 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -61.19 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -32.15 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HB3' ' H ' ' A' ' 92' ' ' THR . . . -67.14 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.952 HG11 HG21 ' A' ' 84' ' ' ILE . 61.6 t -54.84 -61.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 11.2 ttpp -36.91 -61.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.6 t-20 -60.19 -54.96 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.602 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 22.8 t60 -44.12 -28.1 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 1.092 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 16.5 t-105 -61.33 -67.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.9 m-80 -72.46 -3.77 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.572 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 51.5 m -72.86 -80.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -114.11 -14.12 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.092 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 3.2 mm -88.36 29.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 1.6 mmtt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.591 ' C ' ' H ' ' A' ' 8' ' ' GLY . 41.3 t -100.33 -29.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.71 24.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.591 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.12 73.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.12 5.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.574 1.829 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.676 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m95 -77.68 174.87 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 25.6 p -152.17 -162.91 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.9 tttt -63.74 -51.08 66.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -41.34 -38.55 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' OE2' ' CZ3' ' A' ' 10' ' ' TRP . 0.8 OUTLIER -73.17 -51.15 18.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.64 ' HA ' HD11 ' A' ' 37' ' ' LEU . 19.9 m-20 -59.89 -59.45 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.528 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -41.9 -37.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.9 tttm -54.11 -49.0 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.963 HG13 HG13 ' A' ' 33' ' ' ILE . 2.4 t -55.32 -47.92 77.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.558 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -60.39 -35.93 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -80.35 -20.99 42.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.559 HD13 ' CG ' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -78.27 -45.31 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG22 HD11 ' A' ' 33' ' ' ILE . 22.4 t -68.17 -27.95 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -71.38 -36.18 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -84.32 -27.14 27.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.815 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.48 -57.2 3.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.531 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.74 97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.562 1.164 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.624 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -178.06 -61.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.371 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.624 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 173.01 40.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.653 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -109.48 94.82 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.849 ' HA ' HD13 ' A' ' 33' ' ' ILE . 29.6 m95 -106.96 -4.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -77.93 -41.7 35.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.815 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -53.15 -49.5 66.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.963 HG13 HG13 ' A' ' 18' ' ' VAL . 4.3 mp -42.13 -46.2 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.67 -23.96 27.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.52 -41.57 46.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.744 ' CD2' HD13 ' A' ' 32' ' ' LEU . 36.1 m-70 -85.0 10.82 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.798 HD12 HG21 ' A' ' 18' ' ' VAL . 90.0 mt -156.01 103.83 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.28 -158.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.06 -53.47 2.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -179.88 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.42 160.6 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -41.75 154.03 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 9.0 tptm -65.15 80.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' CYS . 23.8 mt-30 56.91 67.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLN . 3.5 t -39.95 110.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 73.23 101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 0.6 OUTLIER 175.32 138.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER 85.03 -9.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.604 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -143.34 -81.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.99 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TRP . 27.4 t-80 -37.93 -45.53 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.679 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.609 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 50.0 m95 -62.66 172.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -132.62 -157.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.1 mt-10 -79.72 -79.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -44.42 -35.04 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.475 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.9 mt-10 -65.78 -40.31 91.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.7 t70 -60.52 -52.65 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mmp_? -55.19 -61.52 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.628 ' HB ' HD21 ' A' ' 88' ' ' LEU . 75.7 mt -39.03 -46.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -59.04 -68.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -46.41 -25.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 1.019 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.5 mt-10 -77.69 -70.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.732 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -49.22 -22.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.76 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.3 t-80 -72.37 -42.33 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -84.51 6.79 22.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.4 t -112.68 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -130.64 -50.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.622 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 127.73 -68.35 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -148.89 20.27 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 77' ' ' LEU . 3.4 mpt_? -70.19 59.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.76 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.6 m95 -52.03 -36.96 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.24 42.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.487 ' HB2' HD13 ' A' ' 77' ' ' LEU . 27.0 mm-40 -105.74 -34.4 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.978 HG21 HG11 ' A' ' 96' ' ' VAL . 10.1 mm -50.48 -48.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -62.59 -43.6 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -49.25 -25.71 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.732 HD13 ' CB ' ' A' ' 73' ' ' ALA . 1.4 mt -86.61 -33.27 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 84' ' ' ILE . 3.4 mp -106.27 105.87 55.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.91 2.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.791 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.45 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.603 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER 171.63 -175.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.909 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 40.5 p -134.02 -140.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.46 -29.97 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.564 ' HB1' ' HG2' ' A' ' 91' ' ' ARG . . . -71.08 -67.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.978 HG11 HG21 ' A' ' 84' ' ' ILE . 85.4 t -54.28 -60.26 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.587 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.5 ttpp -37.25 -58.64 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' TRP . 11.0 t-20 -58.51 -53.25 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.01 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.9 t60 -45.05 -25.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.1 t-105 -64.47 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.1 m-80 -70.98 -2.72 16.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.9 m -73.07 -81.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -121.64 -13.22 8.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.01 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.8 mt -90.84 32.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 1.8 mmmm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.45 ' C ' ' HB3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 7' ' ' LYS . 1.1 t -132.97 -153.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.45 27.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 105.09 72.22 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HB3' ' C ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -75.0 -157.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.761 ' C ' HG23 ' A' ' 11' ' ' THR . 11.5 m0 -78.61 -74.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.761 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.1 p 69.38 -153.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.1 ttpm? -73.94 -34.32 64.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.78 -62.34 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.781 ' CG ' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -50.23 -40.23 46.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.631 ' O ' HD13 ' A' ' 19' ' ' ILE . 5.0 m-20 -65.25 -23.15 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -83.77 -26.18 29.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.534 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 6.6 tttt -85.95 -45.78 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.7 HG21 HG23 ' A' ' 33' ' ' ILE . 2.3 t -64.25 -28.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.646 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -71.65 -54.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -34.78 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.618 ' CB ' HD13 ' A' ' 32' ' ' LEU . 51.4 mt -65.13 -58.06 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.644 ' CG2' HD11 ' A' ' 33' ' ' ILE . 78.4 t -61.19 -16.74 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -24.32 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -22.76 15.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.924 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -89.77 -53.51 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.91 ' O ' HG23 ' A' ' 27' ' ' THR . . . 147.12 -106.03 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -175.53 55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 110.366 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -151.56 -44.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -74.08 83.21 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.709 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.9 m95 -72.31 -6.42 43.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -65.42 -43.65 89.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.924 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -51.83 -18.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.709 HD13 ' HA ' ' A' ' 30' ' ' TRP . 4.1 mp -87.15 -48.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.53 30.01 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HB2' HG23 ' A' ' 31' ' ' THR . 10.4 tttp -123.21 -37.8 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.707 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 3.8 m170 -82.66 -11.98 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.781 HD11 ' CG ' ' A' ' 14' ' ' GLU . 1.7 mm? -116.22 -177.81 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.54 ' CD ' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -151.37 32.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.02 62.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.489 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 76.23 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.68 93.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 10' ' ' TRP . . . -31.68 105.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -40.32 104.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.67 91.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 15.4 p -98.01 125.02 42.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 46' ' ' ARG . 27.5 mtm105 55.87 93.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.53 -41.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -86.03 -27.09 25.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -105.33 -54.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.78 -45.7 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.613 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 95.0 m95 -62.75 -178.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.22 -167.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.1 mm-40 -77.64 -77.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.94 -33.59 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.797 ' HG2' HD22 ' A' ' 88' ' ' LEU . 3.5 mt-10 -64.15 -36.33 83.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -71.29 -51.73 22.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 49.7 mtp180 -60.26 -62.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.027 HD12 HD21 ' A' ' 88' ' ' LEU . 45.5 mt -39.26 -71.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.939 HD13 HG13 ' A' ' 96' ' ' VAL . 45.7 mt -48.01 -48.31 12.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 49.6 t80 -59.96 -13.83 13.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 16.4 pt-20 -132.82 22.53 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -119.15 -14.33 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.764 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.6 t-80 -81.82 -33.52 30.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 11.02 17.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.6 t -112.83 -25.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CB ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -132.21 -75.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.732 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 161.37 -141.43 7.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -91.56 20.22 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.477 ' HD2' ' CB ' ' A' ' 77' ' ' LEU . 3.8 ptp180 -72.36 48.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.764 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.0 m95 -40.22 -34.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 80' ' ' ARG . . . -46.15 -24.12 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' LYS . 21.9 mm-40 -116.61 -45.22 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.951 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -43.66 -27.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -86.23 -44.38 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' GLU . 15.5 mttt -63.9 72.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.0 mt -153.65 -43.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.027 HD21 HD12 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -120.58 149.74 50.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.98 98.94 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.42 141.94 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.0 mmt180 67.0 135.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -102.95 -152.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -72.99 -48.59 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -14.53 37.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -83.7 -68.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.951 HG11 ' CG2' ' A' ' 84' ' ' ILE . 98.2 t -54.48 -49.03 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.627 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -38.63 -61.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 102' ' ' SER . 3.9 t-20 -62.92 -39.13 93.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.613 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 1.9 t60 -49.6 -21.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.533 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -70.32 -51.29 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.033 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 61.5 m-80 -88.5 -4.86 58.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 98' ' ' ASN . 3.6 t -73.4 -73.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.6 m -135.59 -7.85 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.533 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.1 mm -99.22 35.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.93 HD13 ' C ' ' A' ' 38' ' ' LYS . 1.2 mp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.577 HG12 ' N ' ' A' ' 7' ' ' LYS . 92.5 t -69.98 -103.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.577 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -82.44 35.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.7 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.17 47.68 8.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.7 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.96 111.73 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.786 ' C ' HG23 ' A' ' 11' ' ' THR . 10.8 m0 -116.94 -62.86 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.786 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.2 p 71.33 177.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -63.59 -16.08 59.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.9 tt0 -67.84 -52.31 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.566 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -53.05 -46.02 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.931 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.577 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -64.6 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 6.0 pt20 -38.15 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.704 ' C ' HD12 ' A' ' 21' ' ' LEU . 24.3 mttt -68.69 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 33' ' ' ILE . 26.2 t -42.08 -36.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -62.68 -80.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.557 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.8 mt-10 -44.33 -45.0 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.081 HD13 HD13 ' A' ' 32' ' ' LEU . 13.9 mt -54.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.842 HG11 ' CE2' ' A' ' 49' ' ' TRP . 4.4 t -48.68 -21.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -74.0 -38.38 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -101.27 -2.07 32.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.905 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.2 m-85 -109.9 -54.06 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.907 ' O ' HG23 ' A' ' 27' ' ' THR . . . 109.37 -91.85 0.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.907 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.21 37.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 -10.51 12.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -127.53 62.27 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.645 ' CH2' ' HA ' ' A' ' 46' ' ' ARG . 79.7 m95 -57.57 -18.74 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.26 -39.29 66.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.943 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.081 HD13 HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.1 -49.77 68.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.831 HD12 ' HG ' ' A' ' 32' ' ' LEU . 4.1 mp -58.59 -43.4 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.76 7.8 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' THR . 4.0 tttp -113.04 -42.11 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.725 ' ND1' HD11 ' A' ' 21' ' ' LEU . 7.8 m170 -83.31 -26.81 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.733 HD11 HG21 ' A' ' 18' ' ' VAL . 10.5 mt -105.4 61.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.93 ' C ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -55.91 -162.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.57 ' N ' HD13 ' A' ' 5' ' ' LEU . . . 100.88 13.3 34.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.586 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 tmm_? 88.28 126.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 35.18 99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -30.38 92.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . 4.9 tmtt? -39.3 107.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 71.62 82.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 120.23 39.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.645 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 5.8 mtt-85 69.73 81.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.1 -75.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -20.07 58.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.842 ' CE2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.45 20.45 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 46' ' ' ARG . 22.7 t-80 -134.56 -123.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.705 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 47.7 m95 -61.98 173.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -129.89 -162.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.9 mm-40 -75.12 -77.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -44.01 -41.57 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.1 mt-10 -60.81 -38.1 84.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -58.65 -52.04 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' ILE . 7.2 mtp180 -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' ARG . 73.9 mt -36.23 -53.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -52.65 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -48.58 -24.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 1.014 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -78.14 -71.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.755 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -44.42 -25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 20.8 t-80 -64.48 -52.48 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 1.45 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.014 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.9 t -104.32 -16.44 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -133.04 -71.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.26 100.91 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.557 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 39.16 28.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.609 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mpt_? -78.72 52.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.4 m95 -51.73 -38.11 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -17.69 36.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.3 mm-40 -109.56 -37.82 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.87 HG21 HG11 ' A' ' 96' ' ' VAL . 4.0 mm -50.23 -46.42 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.745 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -68.71 -52.55 29.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -45.18 -26.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.8 -45.34 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -94.76 117.76 66.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.797 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.37 57.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.745 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.4 OUTLIER 172.15 151.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 p -112.07 -172.12 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -76.71 -41.17 46.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -61.79 -20.36 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.483 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -79.76 -65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.87 HG11 HG21 ' A' ' 84' ' ' ILE . 99.1 t -54.68 -60.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.2 ttpp -39.79 -53.71 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 15.6 t-20 -61.52 -48.51 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.868 ' NE2' HD11 ' A' ' 104' ' ' ILE . 2.7 t60 -52.68 -27.0 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.541 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.1 t-105 -65.44 -50.17 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.463 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 62.7 m-80 -87.55 2.11 51.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 41.0 t -75.48 -80.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -126.92 -8.19 6.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.868 HD11 ' NE2' ' A' ' 99' ' ' HIS . 9.9 mt -100.48 40.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.494 ' CD ' ' H ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.595 HG12 ' H ' ' A' ' 7' ' ' LYS . 4.5 t -117.99 -133.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.595 ' H ' HG12 ' A' ' 6' ' ' VAL . 20.2 mmmt 38.21 31.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.65 79.06 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.84 27.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.995 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.6 m95 -91.06 130.76 36.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.527 ' CA ' ' OE1' ' A' ' 14' ' ' GLU . 74.1 p -127.07 -158.35 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -38.99 -61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -43.9 -33.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.734 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.674 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -66.02 -34.34 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -59.21 -28.25 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.54 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 tttt -73.51 -46.59 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.86 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -55.1 -26.23 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.633 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -73.16 -56.48 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.02 -22.23 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.731 ' HB3' HD13 ' A' ' 32' ' ' LEU . 25.5 mt -67.75 -56.69 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' VAL . 24.9 t -61.86 -20.48 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.87 -34.08 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.76 -25.68 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.748 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -88.14 -52.98 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 27' ' ' THR . . . 144.15 -100.6 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -176.0 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.396 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 21.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 59.8 mt-30 -124.63 56.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 26.7 m95 -51.52 -22.44 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.601 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -62.89 -42.68 99.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.951 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -52.11 -19.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.86 HG13 HG13 ' A' ' 18' ' ' VAL . 4.3 mp -90.69 -50.33 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -88.46 16.22 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -116.91 -38.25 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.684 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 6.3 m170 -84.59 -41.93 15.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.995 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -91.73 64.81 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -67.37 89.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 159.31 42.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.04 -172.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.04 -2.12 42.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 33' ' ' ILE . . . 46.08 26.36 2.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -98.99 -141.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 43' ' ' LYS . 51.5 tt0 33.25 91.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.602 ' SG ' HG21 ' A' ' 33' ' ' ILE . 88.3 m -150.53 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 108.275 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.621 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 69.2 mtp85 -57.13 80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' CYS . 24.7 tt0 -155.91 -43.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -34.65 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.633 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -112.89 -11.23 13.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -76.89 -113.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.615 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.666 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.715 ' CE2' ' CD2' ' A' ' 99' ' ' HIS . 56.3 m95 -63.08 175.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.6 p -138.43 -157.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.9 mm-40 -81.03 -79.94 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.56 -31.15 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 11.7 mt-10 -67.74 -38.11 83.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.6 t0 -63.92 -51.35 64.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.7 mtp180 -56.19 -61.46 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' ARG . 69.7 mt -36.99 -43.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.499 HD13 ' CG2' ' A' ' 84' ' ' ILE . 1.1 mm -61.66 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.5 t80 -47.71 -22.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 1.032 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -80.73 -70.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.928 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -47.41 -24.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.789 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 21.2 t-80 -70.22 -43.17 71.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.3 pttt -85.55 8.32 19.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 72' ' ' GLU . 5.1 t -111.91 -20.6 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.928 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -130.4 -74.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 134.76 104.85 0.82 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.535 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.1 OUTLIER 39.42 28.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.62 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mpt_? -78.22 53.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.789 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -52.01 -37.44 53.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.985 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.09 36.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.0 mm-40 -112.74 -27.19 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.853 HD13 ' HB3' ' A' ' 73' ' ' ALA . 3.4 mm -62.98 -45.7 98.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -71.86 -37.43 70.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 24.1 mmtt -39.18 -31.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -78.56 -51.6 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 88' ' ' LEU . 1.6 mm? -101.93 112.2 65.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.56 10.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.95 7.1 13.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.596 ' CG ' ' CH2' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -116.44 -11.03 11.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.694 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 37.1 p 45.19 -91.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -159.64 -44.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' ASN . 1.1 p30 -59.03 -26.75 64.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -64.08 -64.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 84' ' ' ILE . 61.8 t -61.51 -59.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.7 ttpp -40.21 -60.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 19.0 t-20 -59.28 -57.2 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.94 ' CD2' HD11 ' A' ' 104' ' ' ILE . 7.7 t60 -44.42 -27.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.822 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 6.1 t-105 -63.03 -69.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.6 m-80 -69.81 -3.11 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.0 m -72.23 -81.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -118.73 -13.6 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.94 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -91.96 35.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 10.9 mmtt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.467 ' C ' ' HB3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.48 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -139.05 -63.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 2.43 11.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 172.92 61.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.04 157.67 42.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.794 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 9.9 m0 -55.73 170.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 11.6 p -151.51 -165.02 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLN . 38.6 ttpt -52.9 -34.26 54.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.586 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -47.59 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.576 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 23.8 mp0 -52.04 -38.87 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HA ' HD11 ' A' ' 37' ' ' LEU . 68.0 m-20 -64.81 -26.04 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.594 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 1.3 pp0? -64.84 -34.01 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.594 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.4 tttt -69.28 -40.85 77.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.939 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -56.93 -35.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.04 HG23 ' CZ2' ' A' ' 49' ' ' TRP . 2.8 mm -67.78 -38.67 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -21.51 64.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.855 HD13 HD13 ' A' ' 32' ' ' LEU . 3.9 mt -81.76 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.961 ' CG2' HD11 ' A' ' 33' ' ' ILE . 96.3 t -50.01 -22.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.5 mttp -71.8 -61.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.29 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.699 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -85.17 -61.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.06 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 179.88 -66.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.414 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.668 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 174.41 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -114.28 98.7 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.733 ' HA ' HD13 ' A' ' 33' ' ' ILE . 53.2 m95 -111.32 -11.04 14.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -68.5 -38.45 80.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.855 HD13 HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -54.44 -54.81 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.961 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.8 mp -40.91 -74.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.9 -59.01 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -46.85 -27.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.639 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.8 m-70 -84.52 -67.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.794 HD22 ' HZ3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -88.85 96.68 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.94 36.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.23 -8.07 45.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.22 158.81 19.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.58 149.9 45.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.37 50.54 4.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -95.59 -58.61 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.58 59.05 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 42.9 m -113.55 -172.32 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 35.02 61.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 1.3 mt-10 -154.7 120.23 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER 80.34 -3.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 1.04 ' CZ2' HG23 ' A' ' 19' ' ' ILE . 3.6 t90 -132.77 -47.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' A' ' 51' ' ' ASN . 7.8 t-80 -72.86 -90.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.772 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 94.6 m95 -91.97 -179.82 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -128.14 -165.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -80.69 -79.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.16 -27.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CD ' HD13 ' A' ' 88' ' ' LEU . 1.9 mm-40 -66.79 -39.87 87.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -69.46 -46.75 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mtp180 -58.9 -62.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.686 HD12 HD21 ' A' ' 88' ' ' LEU . 95.8 mt -38.81 -71.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.642 HG21 HG13 ' A' ' 96' ' ' VAL . 15.0 mt -48.55 -49.78 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 54.2 t80 -58.73 -15.17 10.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -106.06 -13.12 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.791 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -92.17 -22.11 20.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.737 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.9 t-80 -74.57 -14.81 60.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -101.86 12.06 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.4 t -115.1 -34.37 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -125.02 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.737 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.4 -121.15 1.09 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 22.07 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 54.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.673 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -48.94 -35.48 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.18 48.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LYS . 7.6 mm-40 -104.16 -41.91 5.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.885 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -46.98 -42.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -70.99 -31.08 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' GLU . 19.9 mttt -66.45 67.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 4.3 mt -153.77 -44.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.686 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -114.6 127.77 26.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 102.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.459 ' O ' ' NE ' ' A' ' 91' ' ' ARG . . . 136.24 55.95 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.734 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 4.9 tpp180 174.15 168.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -133.82 -167.78 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -28.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.508 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.23 -67.41 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.885 HG11 ' CG2' ' A' ' 84' ' ' ILE . 67.2 t -57.44 -54.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.604 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.6 ttpp -37.66 -64.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.4 -49.88 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.056 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.8 t60 -46.91 -25.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.854 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.8 t-105 -64.55 -69.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.5 m-80 -67.26 -4.51 10.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.46 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.7 m -72.06 -80.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.07 -13.96 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.056 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.3 mt -90.76 31.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 5.9 mmmt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.015 HD13 ' HD2' ' A' ' 40' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' A' ' 8' ' ' GLY . 77.6 t -114.93 -24.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.96 10.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 176.37 71.67 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 163.96 34.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.77 ' C ' HG23 ' A' ' 11' ' ' THR . 11.0 m0 -110.84 -31.54 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.0 OUTLIER 69.23 -161.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.7 tttm -81.83 -28.05 33.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -45.68 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 10' ' ' TRP . 7.8 mm-40 -49.65 -39.6 36.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 19.3 m-20 -62.35 -31.05 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -62.86 -31.2 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.562 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 12.0 tttm -65.34 -49.51 69.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.901 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.5 t -50.17 -38.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.525 HD13 HG12 ' A' ' 18' ' ' VAL . 3.6 mm -58.24 -47.83 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.22 -43.99 72.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 32' ' ' LEU . 2.9 mt -54.26 -46.08 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 18' ' ' VAL . 80.7 t -51.65 -60.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -14.98 9.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -86.27 -45.25 11.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.836 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.63 -51.57 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.844 ' O ' HG23 ' A' ' 27' ' ' THR . . . 154.45 -126.55 1.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 26' ' ' GLY . 1.1 p -164.66 62.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.37 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -120.08 -62.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.5 m95 67.39 9.9 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.035 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.587 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -95.57 -52.48 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.836 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.45 -17.7 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.872 HG13 HG13 ' A' ' 18' ' ' VAL . 5.2 mp -91.3 -57.37 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.72 9.3 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.1 ttpp -116.94 -36.0 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 10.8 m170 -84.84 -39.18 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD11 ' CG2' ' A' ' 18' ' ' VAL . 1.6 mt -110.31 107.37 17.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -152.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.0 -49.52 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 1.015 ' HD2' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.65 -174.51 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.03 -179.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' LEU . . . -45.27 171.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.2 tptp -97.03 47.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' LYS . 16.8 tt0 34.91 35.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.1 m -41.44 -39.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.563 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 1.0 OUTLIER -44.51 -62.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' CB ' ' HG2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -62.72 73.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' ARG . 8.5 tpp85 -177.69 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.539 ' CZ2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.25 -20.49 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 107.991 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 11.9 m-70 -90.56 -26.76 19.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.7 HD22 ' N ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 65.1 m95 -62.4 174.84 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.56 -166.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.2 mm-40 -72.58 -79.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -37.08 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG2' HD22 ' A' ' 88' ' ' LEU . 2.0 mt-10 -62.15 -37.13 84.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.1 t70 -69.0 -52.63 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -55.61 -59.38 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.2 mt -39.93 -72.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.625 HG21 HG13 ' A' ' 96' ' ' VAL . 30.7 mt -45.04 -55.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -48.48 -20.67 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -97.92 -46.31 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -55.03 -21.33 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.783 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.0 t-80 -77.52 -14.13 59.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -100.76 9.71 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -110.86 -30.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.81 HD22 ' HD2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -133.09 -71.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.783 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 150.37 -118.19 0.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.96 21.12 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.81 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -73.3 52.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.692 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 10.8 m95 -48.73 -37.31 18.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.37 -28.14 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.8 mm-40 -107.83 -43.91 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.848 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -44.98 -43.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -69.84 -37.13 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.6 mttm -65.38 70.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.7 mt -153.77 -43.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.424 HD22 ' HG2' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -126.76 133.19 24.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.1 Cg_endo -75.03 127.39 10.62 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.43 -52.01 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.9 mmt180 -93.66 166.28 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.449 ' H ' ' HB3' ' A' ' 95' ' ' ALA . 25.1 p -129.52 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -69.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.23 -29.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' A' ' 92' ' ' THR . . . -64.89 -62.32 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.848 HG11 ' CG2' ' A' ' 84' ' ' ILE . 61.3 t -59.89 -54.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.619 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -35.92 -65.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -57.24 -53.84 53.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.68 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 12.7 t60 -44.54 -28.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.561 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 1.053 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 13.1 t-105 -60.58 -68.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.455 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.4 m-80 -71.19 -4.71 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.569 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.0 t -70.8 -78.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.18 -14.09 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.053 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.4 mm -88.35 31.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 2.9 mmtt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 6' ' ' VAL . 1.3 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.1 t -168.39 169.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.584 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -69.4 42.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 141.72 71.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.2 Cg_endo -75.02 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.575 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 11.3 m0 -56.92 175.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 9.5 p -152.31 -166.91 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.8 ttpp -47.16 -30.08 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -54.14 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 49.4 mm-40 -49.06 -38.01 22.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -65.06 -32.15 73.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.47 -27.34 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.49 -54.56 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.893 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -46.77 -42.66 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.586 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -63.11 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.39 -16.55 61.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.903 HD13 HD13 ' A' ' 32' ' ' LEU . 3.7 mt -84.6 -61.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 18' ' ' VAL . 6.5 t -56.26 -20.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -59.6 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -20.96 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.68 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.0 m-30 -85.81 -60.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 31.14 92.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.626 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -175.17 -61.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.626 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 173.42 57.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.43 HE22 HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -121.91 99.14 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.796 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.2 m95 -116.16 -6.96 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -39.92 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.903 HD13 HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.66 -53.38 55.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.893 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -38.62 -70.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.61 -60.04 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -29.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.64 ' N ' ' O ' ' A' ' 32' ' ' LEU . 9.9 m-70 -84.92 -62.68 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.606 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -96.99 92.22 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.538 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.14 36.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.24 -15.11 8.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -137.88 55.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 33.39 -101.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.01 41.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -54.35 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.45 54.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 47' ' ' GLU . 4.3 t -143.04 -42.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.586 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 mtm105 -64.32 65.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 45' ' ' CYS . 19.9 tt0 -145.19 15.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.01 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.586 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -92.45 -16.05 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.584 ' CD2' ' NE1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -97.11 -35.43 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.566 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.523 HD22 ' N ' ' A' ' 51' ' ' ASN . 1.5 m-80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.635 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 61.7 m95 -63.05 175.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.414 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 14.9 p -132.1 -164.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASP . 12.6 mm-40 -74.1 -79.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -41.58 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 33.6 mt-10 -59.79 -36.33 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t70 -60.38 -53.86 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' ILE . 3.4 mtp180 -61.14 -57.25 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 90.6 mt -36.02 -39.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -66.56 -70.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -48.53 -20.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -83.2 -65.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.937 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.4 -20.96 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.724 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 19.6 t-80 -76.5 -14.31 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.646 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.84 13.43 32.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.2 t -117.82 -37.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.937 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -119.96 -69.36 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.724 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 145.93 -113.24 0.67 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.05 20.27 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.935 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.58 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.1 m95 -51.84 -37.03 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.41 -25.31 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.48 ' HB2' ' CD ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -99.39 -40.44 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.954 HG21 HG11 ' A' ' 96' ' ' VAL . 3.6 mm -47.89 -44.03 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -69.59 -37.1 76.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -56.65 -35.89 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 73' ' ' ALA . 5.9 mt -74.86 -16.7 60.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 10.7 mt -95.22 165.38 16.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.01 7.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.41 98.49 0.61 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.886 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 9.6 mmt-85 -146.69 17.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.843 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 2.0 p 45.73 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.07 -57.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -30.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -68.1 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.954 HG11 HG21 ' A' ' 84' ' ' ILE . 92.8 t -53.99 -57.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.641 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -39.36 -43.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.1 t-20 -74.95 -47.97 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.635 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.7 t60 -46.61 -22.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.632 ' CZ2' ' ND1' ' A' ' 74' ' ' HIS . 1.3 t-105 -69.52 -53.57 18.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.409 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 68.4 m-80 -88.13 -6.27 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 98' ' ' ASN . 1.3 t -72.24 -73.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -136.55 -8.06 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 99' ' ' HIS . 0.9 OUTLIER -98.02 33.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.632 HG12 ' H ' ' A' ' 7' ' ' LYS . 5.1 t -110.15 -133.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.632 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 29.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 123.16 79.36 0.46 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.04 21.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.654 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.2 m0 -90.43 158.74 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' GLU . 28.4 p -147.24 -165.39 2.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttt -39.83 -53.96 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -45.04 -40.35 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.771 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.41 -47.5 81.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.583 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -62.07 -49.36 76.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -48.01 -24.31 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.2 tttp -72.41 -53.82 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.881 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.3 t -45.96 -30.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.643 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.81 -47.97 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.81 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 1.4 mt -89.29 -30.8 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 18' ' ' VAL . 39.0 t -70.1 -34.94 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.07 -38.31 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -70.11 -23.05 62.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.717 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.7 m-30 -98.78 -48.94 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.56 0.27 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.156 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.732 HG23 HG13 ' A' ' 22' ' ' VAL . 0.5 OUTLIER 77.89 52.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 -55.52 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.25 73.16 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -54.77 -21.11 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.557 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.83 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.717 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.05 -45.74 61.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.881 ' CG1' HG13 ' A' ' 18' ' ' VAL . 3.6 mp -61.67 -39.2 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.05 16.7 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.557 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -120.86 -33.73 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.633 ' O ' ' CZ3' ' A' ' 10' ' ' TRP . 13.7 m-70 -82.57 -54.86 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.771 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -84.73 65.85 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 80.74 0.91 88.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 157.58 -170.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.41 126.92 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.42 107.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -64.7 61.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.589 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER 169.33 54.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.64 80.57 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.288 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER 58.88 113.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 164.79 50.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 179.21 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.604 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -112.58 -34.84 5.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -85.15 -36.68 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.963 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.611 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 57.5 m95 -62.32 173.65 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.3 p -123.04 -158.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.6 mm-40 -79.84 -80.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -34.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -63.6 -40.67 97.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t0 -66.86 -47.44 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLU . 2.3 mmp_? -59.01 -62.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' ALA . 86.0 mt -37.48 -70.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.872 HD13 HG13 ' A' ' 96' ' ' VAL . 13.0 mt -48.25 -50.94 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.1 -14.24 9.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 3.1 mm-40 -125.5 15.65 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.996 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -119.89 -11.29 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.88 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 17.2 t-80 -88.53 -24.63 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.31 11.95 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -115.03 -32.14 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.996 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -118.37 -75.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.61 110.44 1.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.545 ' H ' ' CD2' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 36.07 31.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 1.1 mpt_? -82.98 48.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.88 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -51.55 -37.17 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.03 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.22 35.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -109.98 -36.47 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.711 HG21 HG11 ' A' ' 96' ' ' VAL . 3.5 mm -54.47 -53.88 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -59.51 -38.95 82.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -63.77 -33.98 76.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.03 6.74 20.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.799 HD11 HD11 ' A' ' 70' ' ' ILE . 14.6 mt -107.23 161.44 22.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.2 -133.37 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 73.8 mmt-85 47.81 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 4.2 p -138.75 -173.15 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.74 -33.56 52.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.44 -22.29 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.05 -61.28 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.872 HG13 HD13 ' A' ' 70' ' ' ILE . 85.9 t -55.48 -60.51 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 10.0 ttpp -36.9 -52.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.4 t-20 -65.61 -54.48 27.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 1.043 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.4 t60 -45.29 -26.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.827 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.9 t-105 -63.81 -69.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.5 m-80 -67.19 -4.85 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.2 m -71.7 -79.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -123.48 -13.54 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.043 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.2 mt -91.92 34.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.874 HG23 HG11 ' A' ' 6' ' ' VAL . 8.5 mm 65.11 71.79 0.51 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.523 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.05 -163.3 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.747 ' O ' HD12 ' A' ' 5' ' ' LEU . 22.8 t0 -67.5 166.65 14.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 73.71 14.95 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.874 HG11 HG23 ' A' ' 2' ' ' ILE . 35.0 t -93.53 -25.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.52 20.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.6 67.6 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.81 5.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.704 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 9.4 m95 -79.05 171.9 14.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 107.987 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.463 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.3 p -152.23 -163.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 tmtt? -62.3 -31.26 71.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.576 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -51.62 -75.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -50.34 -39.98 47.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' HA ' HD11 ' A' ' 37' ' ' LEU . 4.0 m-20 -64.24 -29.08 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -64.43 -29.51 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.574 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.9 tttp -70.06 -46.8 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.944 HG13 HG13 ' A' ' 33' ' ' ILE . 2.2 t -52.66 -38.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.546 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -68.84 -33.39 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -75.9 -21.94 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 36' ' ' HIS . 1.5 mt -89.02 -44.49 10.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.983 HG22 HD11 ' A' ' 33' ' ' ILE . 54.9 t -59.82 -34.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -76.5 -40.44 50.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -73.9 -15.17 61.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.664 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -100.32 -52.58 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 120.55 5.1 10.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.874 HG23 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 71.62 55.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.425 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.18 -44.31 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -95.81 73.41 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 62.5 m95 -58.16 -17.85 21.44 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.29 -29.57 69.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -61.88 -55.16 32.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.983 HD11 HG22 ' A' ' 22' ' ' VAL . 4.3 mp -45.37 -61.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.522 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -61.58 -63.24 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 31' ' ' THR . 12.1 tttt -44.06 -28.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.575 ' CE1' HD13 ' A' ' 21' ' ' LEU . 10.8 m-70 -84.19 -59.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD22 ' HZ3' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -97.87 92.18 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -161.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.27 -48.84 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.41 -172.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.33 145.39 33.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.522 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -86.03 13.43 56.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 44' ' ' GLN . 2.6 tptt -80.83 -138.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 35.55 66.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.2 m -166.27 -44.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 108.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 6.5 mtt180 -36.79 -35.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.17 56.55 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.65 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.872 ' HB3' HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -98.79 -21.28 16.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.78 -31.12 10.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.542 HD22 ' N ' ' A' ' 51' ' ' ASN . 1.4 m-80 -110.05 75.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.41 -63.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.585 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tt -39.93 123.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.2 t30 178.23 65.45 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -157.74 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 61' ' ' SER . 2.0 mt-10 -113.32 -170.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.604 HG23 ' CA ' ' A' ' 63' ' ' THR . 86.9 t -71.74 -26.41 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 59' ' ' LYS . 24.5 tttt -176.15 35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.7 OUTLIER 56.42 110.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 85.28 -43.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 60' ' ' SER . 4.4 m -58.27 -154.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 68.6 m95 -62.69 175.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.604 ' CA ' HG23 ' A' ' 57' ' ' VAL . 4.9 p -124.27 -158.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 14.7 mm-40 -80.85 -82.04 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -29.73 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.67 -41.26 79.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.97 -47.4 71.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 mtp180 -56.35 -61.55 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.87 HD12 HD11 ' A' ' 88' ' ' LEU . 61.1 mt -37.39 -65.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.966 HD13 HG13 ' A' ' 96' ' ' VAL . 35.5 mt -51.38 -45.49 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 49.8 t80 -66.7 -14.07 62.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -126.87 21.25 6.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.6 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -117.92 -33.91 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.834 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 5.8 t-80 -69.66 -14.62 62.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.44 11.54 36.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -114.75 -36.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -123.95 -73.23 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.791 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 161.82 -131.65 2.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.478 ' HA ' ' HE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -89.35 25.62 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.18 55.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.834 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 16.1 m95 -50.86 -36.16 36.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.54 -29.12 61.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.62 -39.62 10.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.0 HG21 HG11 ' A' ' 96' ' ' VAL . 3.8 mm -50.18 -48.56 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -67.06 -45.46 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -41.53 -28.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.46 ' HB2' HD22 ' A' ' 88' ' ' LEU . 11.4 mt -74.25 -51.67 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.87 HD11 HD12 ' A' ' 69' ' ' ILE . 1.1 mm? -98.83 111.23 60.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.55 8.71 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.78 -51.44 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.0 mmt180 -89.24 160.13 17.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.0 p -107.2 -169.8 1.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -74.2 -44.77 52.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -13.98 48.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.35 -66.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.0 HG11 HG21 ' A' ' 84' ' ' ILE . 57.9 t -54.91 -51.17 55.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -42.25 -59.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.5 t-20 -60.27 -44.07 95.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.4 t60 -48.72 -23.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.655 ' CZ3' HG22 ' A' ' 70' ' ' ILE . 0.4 OUTLIER -68.52 -53.13 25.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.019 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 54.6 m-80 -83.41 -4.44 58.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 50.7 m -73.46 -77.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.2 m -132.32 -6.78 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.558 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -100.49 35.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -120.53 39.96 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -68.58 -61.9 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.49 86.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -155.99 -46.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.31 33.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.457 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -136.81 61.88 38.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.99 1.19 8.01 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.488 1.783 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.504 ' O ' ' O ' ' A' ' 5' ' ' LEU . 7.9 t70 -119.04 41.34 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.87 HD11 ' C ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER 37.97 95.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.369 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.586 HG12 ' H ' ' A' ' 7' ' ' LYS . 2.1 t -128.81 -144.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.586 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.56 28.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 111.57 77.14 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.775 ' CZ3' HD12 ' A' ' 37' ' ' LEU . 8.6 m0 -62.5 164.66 7.14 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.1 p -152.58 172.62 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -38.15 -32.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -62.02 -55.13 32.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.805 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.98 -21.15 7.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.571 ' O ' HD13 ' A' ' 19' ' ' ILE . 3.3 m-20 -91.43 -19.04 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 2.8 pt20 -88.75 -27.89 20.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -47.05 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.739 HG21 HG23 ' A' ' 33' ' ' ILE . 2.1 t -65.03 -37.12 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.658 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -63.07 -72.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -44.76 -22.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.09 HD13 HD13 ' A' ' 32' ' ' LEU . 20.5 mt -81.25 -77.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.92 ' CG2' HD11 ' A' ' 33' ' ' ILE . 4.0 t -41.96 -30.91 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.25 -49.79 39.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -68.49 -20.84 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.661 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.7 m-30 -89.43 -57.46 2.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.739 ' C ' HG22 ' A' ' 27' ' ' THR . . . 49.25 108.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.739 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 160.6 -71.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.689 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.25 64.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 8.2 mt-30 -109.51 95.3 5.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 25.7 m95 -97.29 -8.73 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -72.9 -49.22 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.09 HD13 HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -49.82 -49.35 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.92 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.4 mp -54.33 -38.64 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.12 14.18 26.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -116.34 -39.27 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.778 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.9 m-70 -83.47 -10.56 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.805 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -147.01 117.42 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -88.09 169.86 11.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.87 ' C ' HD11 ' A' ' 5' ' ' LEU . . . 105.64 -53.48 0.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.528 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -103.26 153.97 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.47 -172.08 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.88 68.65 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -144.02 -51.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -119.42 97.07 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' CB ' HG21 ' A' ' 33' ' ' ILE . 1.9 m -162.48 -65.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.777 ' HD2' HG21 ' A' ' 22' ' ' VAL . 4.5 ptm180 -82.91 46.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -105.48 31.14 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.597 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.8 ttt180 -89.89 -50.19 6.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.658 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -79.0 -17.01 56.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.68 -63.75 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.798 HD22 ' N ' ' A' ' 51' ' ' ASN . 0.7 OUTLIER -90.38 48.77 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -101.63 -66.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -40.39 105.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -95.47 125.7 48.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.5 Cg_endo -75.0 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 68.2 tt0 54.22 165.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 57' ' ' VAL . 99.0 t -90.19 22.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER 88.78 92.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 43.77 -165.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.41 ' O ' ' OG ' ' A' ' 61' ' ' SER . 0.3 OUTLIER -54.39 111.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 60' ' ' SER . 0.7 OUTLIER -172.14 -150.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.598 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 79.8 m95 -62.82 177.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 p -124.6 -156.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.447 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.1 mt-10 -82.06 -81.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -44.06 -32.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.976 ' HG2' HD22 ' A' ' 88' ' ' LEU . 2.2 mt-10 -65.94 -41.91 90.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -70.96 -49.14 48.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.1 mmp_? -58.85 -62.84 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.979 HD12 HD21 ' A' ' 88' ' ' LEU . 27.9 mt -38.74 -70.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.724 HD13 HG13 ' A' ' 96' ' ' VAL . 64.6 mt -43.22 -55.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -50.23 -38.79 42.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.13 12.2 35.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . . . -111.12 -22.55 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.79 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.8 t-80 -75.51 -15.5 60.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.565 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.13 11.45 39.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -112.49 -28.4 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -133.05 -69.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.79 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.36 -122.96 1.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.78 19.41 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.237 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 52.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.689 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.3 m95 -47.81 -36.98 12.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.999 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.47 -27.19 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LYS . 3.4 mm-40 -109.56 -44.38 3.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.886 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -44.85 -38.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -75.18 -38.38 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' GLU . 34.2 mttt -62.79 74.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.523 HD13 ' CG2' ' A' ' 69' ' ' ILE . 3.7 mt -156.48 -43.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.979 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -124.53 150.79 65.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.91 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 141.4 142.17 4.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.48 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . 69.8 mmt-85 67.13 125.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 71.8 p -92.43 -139.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 -48.08 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.26 -14.39 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -82.26 -69.36 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.886 HG11 ' CG2' ' A' ' 84' ' ' ILE . 97.7 t -54.43 -50.59 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.631 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.9 ttpp -38.43 -64.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -57.16 -49.32 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.053 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.8 t60 -44.59 -28.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.841 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.1 t-105 -61.77 -68.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.036 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.452 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 67.8 m-80 -69.43 -3.94 16.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 22.4 t -72.05 -78.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -126.03 -12.99 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.053 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -90.96 31.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 22.1 mmmt -147.31 105.43 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.77 -68.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 5.2 tttt -67.25 77.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.9 OUTLIER -152.73 -46.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' N ' HG12 ' A' ' 108' ' ' VAL . 7.5 t0 -152.69 76.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.602 HG22 ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -131.81 174.82 4.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.649 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.2 Cg_endo -75.02 -161.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.816 ' O ' HD12 ' A' ' 5' ' ' LEU . 12.8 t70 -81.49 165.29 21.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 79.06 16.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 3' ' ' PRO . 55.4 t -80.05 -27.89 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 16.52 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 176.13 62.9 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 126.24 9.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 7.1 m0 -72.84 160.69 31.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 10' ' ' TRP . 71.7 p -153.17 171.65 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' THR . 3.0 tptm -39.86 -32.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.08 -51.42 68.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.945 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -53.55 -31.84 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.543 ' O ' HD13 ' A' ' 19' ' ' ILE . 10.0 m-20 -78.21 -47.69 17.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -53.51 -24.66 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.0 tttp -83.61 -53.35 5.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.7 t -56.68 -36.5 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.767 HD12 ' CZ2' ' A' ' 49' ' ' TRP . 1.1 mp -65.34 -75.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.639 ' N ' HG22 ' A' ' 19' ' ' ILE . 32.8 tt0 -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CB ' HD13 ' A' ' 32' ' ' LEU . 41.8 mt -54.62 -56.23 21.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.645 ' CG2' HD11 ' A' ' 33' ' ' ILE . 21.4 t -61.78 -14.53 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -15.12 33.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.1 -20.35 12.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.872 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.4 m-30 -93.98 -53.46 3.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.809 ' O ' HG23 ' A' ' 27' ' ' THR . . . 145.0 -116.11 0.9 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.502 1.127 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 26' ' ' GLY . 1.0 OUTLIER -163.36 29.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 0.797 . . . . 0.0 110.402 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -132.67 8.0 4.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.469 ' C ' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -120.28 94.01 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.611 ' HA ' HD13 ' A' ' 33' ' ' ILE . 17.6 m95 -84.46 -6.11 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -69.03 -47.84 64.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.356 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.904 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -52.09 -16.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.831 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.8 mp -90.53 -48.66 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.02 28.9 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 31' ' ' THR . 16.8 tttt -126.19 -38.08 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.7 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 3.1 m-70 -85.93 -9.94 56.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.945 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -142.39 109.62 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -99.65 124.83 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.67 -27.8 0.27 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 165.97 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.51 164.62 23.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.17 96.27 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.58 1.175 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -164.57 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.3 96.49 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.7 -77.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 108.317 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 25.4 ptt180 -95.51 76.6 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -110.88 -13.35 14.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' C ' ' N ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -94.76 -90.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.767 ' CZ2' HD12 ' A' ' 19' ' ' ILE . 12.1 p-90 -41.87 -30.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.027 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.452 ' N ' ' C ' ' A' ' 48' ' ' ARG . 9.5 t-80 -61.91 -64.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.609 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 1.4 m-80 -106.14 -146.65 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' ' 51' ' ' ASN . 13.9 m-70 71.89 -51.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.659 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.553 ' O ' HD23 ' A' ' 53' ' ' LEU . 3.2 tt -74.54 81.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -168.54 66.58 0.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.258 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -157.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -130.97 -171.03 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.826 HG23 ' HG2' ' A' ' 64' ' ' GLU . 89.1 t -68.8 -37.44 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt 178.47 158.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -66.16 104.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 84.05 -153.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 51.62 -150.95 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.945 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.619 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 64.5 m95 -62.85 174.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.414 ' O ' HG21 ' A' ' 57' ' ' VAL . 22.3 p -123.81 -158.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.826 ' HG2' HG23 ' A' ' 57' ' ' VAL . 10.5 mm-40 -80.32 -79.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.57 -34.38 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 70' ' ' ILE . 1.4 mt-10 -65.26 -38.46 90.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.0 OUTLIER -69.59 -50.67 42.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.0 mtp180 -58.49 -63.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.854 HG21 HD11 ' A' ' 88' ' ' LEU . 93.0 mt -36.81 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.701 HD13 HG13 ' A' ' 96' ' ' VAL . 29.3 mt -49.31 -51.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 10.7 t80 -54.82 -23.25 17.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . 4.3 pt-20 -113.8 11.46 18.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 70' ' ' ILE . . . -107.29 -24.03 12.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.825 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.5 t-80 -75.19 -15.36 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 11.62 38.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -112.06 -30.31 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -132.48 -73.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.825 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.34 -127.85 1.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.574 ' HA ' ' HE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -88.94 24.24 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -72.22 53.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.746 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 15.9 m95 -47.87 -34.41 8.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 107.981 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.55 -32.84 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.486 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -102.41 -37.01 8.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.874 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -54.23 -46.99 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 70.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.673 ' HG ' HD13 ' A' ' 88' ' ' LEU . 3.5 tp -165.98 -42.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.854 HD11 HG21 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -100.03 144.79 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.4 Cg_endo -74.95 87.67 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.83 145.97 5.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 28.7 mmt180 68.8 148.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 14.8 p -114.43 -148.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.67 -50.89 10.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -14.32 21.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 -66.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.874 HG11 ' CG2' ' A' ' 84' ' ' ILE . 62.4 t -55.05 -52.34 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.613 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.4 ttpp -37.67 -62.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -58.31 -44.93 88.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.828 ' NE2' HD11 ' A' ' 104' ' ' ILE . 3.4 t60 -50.26 -22.65 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.913 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -67.28 -52.85 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 55.5 m-80 -83.81 0.15 48.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 47.5 t -75.05 -75.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.13 -8.38 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.913 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.1 mt -99.25 38.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.48 ' C ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -124.36 47.14 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -78.01 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.2 OUTLIER -64.51 79.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' ARG . 2.4 t -152.26 -47.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -88.61 45.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.975 HD12 HG11 ' A' ' 6' ' ' VAL . 6.7 mm -127.32 72.15 77.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.667 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.0 -156.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.788 ' O ' HD12 ' A' ' 5' ' ' LEU . 19.9 t70 -66.87 164.11 18.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 79.79 8.27 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.975 HG11 HD12 ' A' ' 2' ' ' ILE . 13.6 t -105.06 -131.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.695 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 39.07 29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 122.67 78.23 0.43 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 8.6 m0 -66.87 160.68 25.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.157 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.5 p -152.59 170.63 19.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -42.3 -33.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -58.01 -45.14 87.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.875 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.64 -43.07 94.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LYS . 11.4 m-20 -67.09 -66.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.559 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 5.7 pt20 -38.13 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ASP . 14.2 tttt -76.36 -61.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.739 HG22 HG13 ' A' ' 33' ' ' ILE . 2.2 t -58.1 -16.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.605 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -82.79 -68.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' HG22 ' A' ' 19' ' ' ILE . 38.2 mt-10 -55.28 -19.16 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.944 HD13 HD13 ' A' ' 32' ' ' LEU . 13.1 mt -79.17 -65.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 18' ' ' VAL . 76.3 t -51.36 -20.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 23.4 mttt -72.21 -58.57 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -23.93 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.785 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.1 m-85 -84.53 -58.72 2.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 30.45 100.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 175.45 -64.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.406 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.699 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.3 41.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -107.7 86.7 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.766 ' CE3' HD13 ' A' ' 33' ' ' ILE . 26.6 m95 -91.89 -5.74 52.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.0 -42.31 97.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.944 HD13 HD13 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -51.13 -48.23 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.766 HD13 ' CE3' ' A' ' 30' ' ' TRP . 4.6 mp -54.55 -40.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.26 11.17 28.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -113.49 -38.23 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.814 ' O ' HD23 ' A' ' 37' ' ' LEU . 9.3 m-70 -84.47 -17.37 39.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.875 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -143.52 116.2 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -122.26 113.41 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.92 -34.78 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -128.82 51.7 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 40.33 -166.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.65 45.88 1.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.64 -69.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.96 82.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.8 t -152.66 -47.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' CYS . 82.3 mtt180 -36.2 -33.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -67.08 81.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.592 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -155.61 -54.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.68 ' O ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -119.53 -17.12 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.039 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -42.19 75.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.549 ' N ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -86.65 -45.16 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 12.7 m-70 -52.74 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -52.35 97.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -150.82 139.39 12.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.5 Cg_endo -74.99 -90.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 57' ' ' VAL . 15.0 tt0 56.84 159.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 58' ' ' LYS . 98.0 t -91.99 -105.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.536 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER 51.64 -168.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.48 -169.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.3 OUTLIER -44.4 156.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.031 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.1 m 84.99 -156.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.959 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.584 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 75.0 m95 -63.66 176.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.05 -166.27 1.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mm-40 -75.31 -77.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -47.49 -31.89 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.5 mt-10 -67.43 -32.78 73.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.8 t0 -67.61 -54.75 17.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 69' ' ' ILE . 16.3 mmm180 -54.87 -60.37 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.71 HG22 HD21 ' A' ' 88' ' ' LEU . 72.0 mt -37.63 -53.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.732 HD12 HG13 ' A' ' 96' ' ' VAL . 1.3 mm -52.77 -70.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -46.43 -23.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.832 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -77.15 -61.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.984 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.85 -26.97 38.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.71 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 11.9 t-80 -76.45 -18.08 58.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -101.69 16.45 25.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.8 t -125.96 -40.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -111.94 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.71 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 157.08 -121.9 1.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.62 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.02 58.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.651 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -52.88 -33.67 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.04 -23.8 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' ARG . 11.7 mm-40 -113.77 -9.08 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.719 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -81.78 -39.77 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -72.67 -31.96 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -42.53 -29.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' ALA . 2.2 mp -78.34 -47.95 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.71 HD21 HG22 ' A' ' 69' ' ' ILE . 1.6 mm? -94.89 111.96 56.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 152.48 41.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.07 -31.22 6.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.722 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 34.3 mmt180 -103.52 134.96 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 20.2 p -91.42 -153.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -83.54 -47.8 10.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.66 -14.25 41.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.722 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -76.5 -67.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.732 HG13 HD12 ' A' ' 70' ' ' ILE . 67.0 t -57.47 -54.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.636 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.6 ttpp -39.18 -57.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -58.64 -44.0 89.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.115 ' CD2' HD11 ' A' ' 104' ' ' ILE . 8.6 t60 -58.07 -21.54 46.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.567 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.886 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.3 t-105 -67.29 -45.73 75.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.001 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 55.5 m-80 -89.36 0.85 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 16.0 m -74.16 -83.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.86 -5.79 6.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.115 HD11 ' CD2' ' A' ' 99' ' ' HIS . 6.4 mt -88.42 38.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 23.2 mmmt -107.05 -168.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 108' ' ' VAL . 11.2 mtm180 -97.37 -80.32 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.45 60.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.9 OUTLIER -124.64 -60.26 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.544 ' N ' HG12 ' A' ' 108' ' ' VAL . 13.4 t0 37.52 56.95 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.442 HG22 HG13 ' A' ' 108' ' ' VAL . 10.1 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.741 ' O ' HD12 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -102.2 159.14 30.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -75.03 -161.32 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.492 ' O ' ' O ' ' A' ' 5' ' ' LEU . 1.1 t70 33.32 79.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.686 HD23 ' HG2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 58.99 132.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.629 HG12 ' H ' ' A' ' 7' ' ' LYS . 1.1 t -100.43 -161.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.629 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -84.04 8.33 15.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 178.42 59.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HG2' HD23 ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.99 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.538 ' CE3' ' HB3' ' A' ' 14' ' ' GLU . 12.2 m0 -55.24 172.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 10.5 p -151.49 -163.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -49.71 -34.57 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.574 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.92 -76.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.538 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 11.0 mp0 -51.31 -39.57 57.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -63.5 -28.52 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.574 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -66.5 -28.87 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 1.2 tttp -67.74 -48.67 65.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.73 HG21 HG23 ' A' ' 33' ' ' ILE . 1.9 t -50.5 -51.19 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.601 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -52.97 -39.6 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.85 -22.29 62.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -83.16 -72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.928 HG22 HD11 ' A' ' 33' ' ' ILE . 17.7 t -40.94 -29.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -70.24 -53.93 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -66.04 -23.23 66.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.639 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.7 m-30 -85.24 -59.45 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.667 ' C ' HG22 ' A' ' 27' ' ' THR . . . 41.54 106.29 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.671 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 165.19 -69.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.671 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 166.89 63.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -125.67 79.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.589 ' CZ3' ' HB3' ' A' ' 45' ' ' CYS . 38.6 m95 -85.09 -8.01 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 108.006 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.49 -41.39 80.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -51.77 -48.4 63.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.928 HD11 HG22 ' A' ' 22' ' ' VAL . 4.9 mp -57.19 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -25.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 31' ' ' THR . 1.4 tmmt? -80.93 -36.69 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 12.4 m170 -84.16 -61.59 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD11 ' CG2' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -94.0 92.43 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.22 36.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.33 -15.23 64.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.67 164.2 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.05 -174.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.86 24.73 19.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -77.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -82.64 52.2 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.589 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -95.66 -52.78 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.0 mtt180 -60.81 80.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' CYS . 6.2 tt0 -149.66 -40.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH1' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -38.08 -34.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -117.23 -42.07 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.029 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.38 -71.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.52 76.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ASN . 8.8 t-80 -150.24 -47.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -39.45 95.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' HIS . 9.9 t30 -121.05 96.32 48.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -157.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.87 -167.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.616 HG12 ' N ' ' A' ' 58' ' ' LYS . 79.4 t -76.22 -103.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.616 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER 59.89 -166.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' CD ' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER 49.51 -171.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.54 167.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.86 -147.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.621 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 42.9 m95 -62.34 -173.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.034 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.7 p -148.81 -163.28 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.09 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' ASP . 22.8 mm-40 -73.67 -76.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -44.88 -37.26 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.97 -34.26 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.7 t70 -69.72 -53.26 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 18.0 mmm180 -57.1 -57.99 10.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.513 ' CG2' HD13 ' A' ' 87' ' ' LEU . 65.9 mt -42.01 -73.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.645 HG21 HG13 ' A' ' 96' ' ' VAL . 30.0 mt -45.13 -55.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 24.0 t80 -47.97 -21.02 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -95.97 -45.53 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -53.66 -28.94 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.765 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.4 t-80 -72.23 -13.84 61.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 14.03 33.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -116.91 -34.79 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -126.82 -73.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.765 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.23 -118.17 0.84 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.44 19.38 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.35 57.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.674 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.5 m95 -52.66 -33.66 48.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.99 68.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -112.09 -9.83 13.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.641 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -79.31 -45.91 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 91' ' ' ARG . . . -57.92 -17.61 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -69.47 63.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.542 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -157.17 -37.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.781 ' N ' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -91.95 -175.45 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.583 ' CD ' ' CB ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 1.81 7.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.82 119.79 1.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 88' ' ' LEU . 30.3 mmt180 -148.5 18.97 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.476 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 69.3 p 42.3 -103.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.476 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -163.81 -44.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -15.7 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -73.76 -65.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.645 HG13 HG21 ' A' ' 70' ' ' ILE . 62.1 t -62.9 -48.45 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.4 ttpp -38.61 -49.24 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.2 t-20 -74.04 -38.48 63.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.621 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.1 t60 -52.48 -19.12 2.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -72.41 -49.78 31.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.003 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 58.0 m-80 -87.89 -5.92 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.499 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 23.4 m -72.09 -75.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.8 m -134.71 -7.02 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.55 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 0.8 OUTLIER -99.05 33.74 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -117.78 38.74 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -75.76 -69.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.09 59.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 109' ' ' ASP . 1.9 t -80.11 -66.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.174 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.522 ' N ' HG12 ' A' ' 108' ' ' VAL . 5.0 t0 38.35 69.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.342 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.878 HG23 HG11 ' A' ' 6' ' ' VAL . 13.8 mm 52.64 65.2 6.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.573 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.92 -160.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.422 1.749 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.848 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.7 t70 -71.51 160.69 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 76.06 13.93 2.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.878 HG11 HG23 ' A' ' 2' ' ' ILE . 12.0 t -83.71 -24.22 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -78.03 16.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 166.45 67.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 121.81 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.637 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.7 m95 -81.23 168.93 17.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 16.4 p -151.93 -164.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 ttpt -58.28 -34.16 70.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.18 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -50.82 -40.61 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 63.5 m-20 -63.08 -30.09 71.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -66.96 -25.81 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 10.5 tttt -67.97 -53.2 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.958 HG11 HG23 ' A' ' 33' ' ' ILE . 11.5 t -49.17 -50.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.536 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.8 OUTLIER -58.11 -42.59 83.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.08 -11.82 60.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -83.23 -50.44 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.875 HG22 HD11 ' A' ' 33' ' ' ILE . 3.9 t -64.8 -26.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -41.24 60.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.34 -23.13 37.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 4.5 m-30 -86.2 -57.69 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 32.37 94.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.551 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -175.43 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.409 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 170.46 46.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.452 HE22 HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -113.34 94.8 5.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.729 ' HA ' HD13 ' A' ' 33' ' ' ILE . 33.2 m95 -115.26 -4.52 12.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -44.22 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.067 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.7 -23.61 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.067 ' N ' HD13 ' A' ' 32' ' ' LEU . 2.3 mp -67.91 -49.47 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.65 4.47 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 -18.18 13.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.808 ' CE1' HD23 ' A' ' 32' ' ' LEU . 9.5 m-70 -88.92 -41.84 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.637 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 2.0 mt -108.04 94.31 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -81.91 -162.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.45 -52.56 3.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.4 173.6 10.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.68 151.68 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -44.7 104.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLY . 7.6 tmtt? -39.41 94.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER 62.65 129.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.1 t -124.48 103.38 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.6 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 31.3 mtt180 66.54 87.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.47 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.25 29.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -178.66 -78.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 108.021 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -40.54 -34.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.71 53.99 0.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' TRP . 2.9 t-80 -121.67 -75.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.562 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mp 59.11 155.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.6 t30 169.85 67.51 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -157.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.41 -167.82 2.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 58' ' ' LYS . 55.5 t -74.51 -99.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.656 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -136.3 -169.5 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.98 105.78 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER 172.02 -96.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.4 m 162.93 38.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.604 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 85.0 m95 -102.55 -168.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.011 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.493 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -148.73 -165.81 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -77.64 -81.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.47 -27.88 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.493 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 27.8 mt-10 -70.31 -38.68 74.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.8 t0 -66.38 -49.67 66.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ILE . 19.2 mmm180 -54.52 -62.83 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 73.9 mt -37.81 -47.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.78 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -56.61 -70.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 2.1 t80 -48.47 -22.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.823 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -76.8 -53.8 7.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.792 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -64.21 -27.5 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.704 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.5 t-80 -73.13 -15.83 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.55 16.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.8 t -126.16 -41.56 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.792 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -111.2 -76.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.704 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.87 -118.71 0.87 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 19.08 5.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.609 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.02 57.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.242 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 12.0 m95 -51.88 -34.34 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 108.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.93 -27.27 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.1 mm-40 -110.79 -8.2 14.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.81 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -80.87 -41.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 92' ' ' THR . . . -70.57 -15.66 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.89 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 69' ' ' ILE . 5.4 mp -74.33 -6.27 47.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.23 159.02 43.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.68 104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.893 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 72.2 mmt-85 -149.36 20.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.548 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 19.9 p 36.86 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 0.2 OUTLIER -115.35 -37.24 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -14.07 61.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -80.25 -69.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.81 HG11 ' CG2' ' A' ' 84' ' ' ILE . 58.3 t -58.4 -54.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.0 ttpp -38.68 -63.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -55.71 -52.58 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.068 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.1 t60 -46.16 -25.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.848 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.0 t-105 -64.43 -68.12 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.014 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.8 m-80 -69.26 -3.5 14.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.6 m -72.8 -80.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -123.78 -13.13 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.068 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.6 mt -90.79 31.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 27.7 mmmt -147.62 118.9 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -71.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 5.9 tttt -69.46 77.03 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -150.2 -50.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.496 ' N ' HG12 ' A' ' 108' ' ' VAL . 4.2 t70 38.27 71.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.685 HD11 HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -75.37 174.05 6.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.564 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.1 Cg_endo -75.07 -179.96 5.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.825 ' O ' HD12 ' A' ' 5' ' ' LEU . 10.5 t0 -63.13 172.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.825 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 82.38 19.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.685 HG13 HD11 ' A' ' 2' ' ' ILE . 5.8 t -75.09 -133.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.653 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.22 29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 110.79 80.04 1.08 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.63 10.09 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.849 ' CE3' HD22 ' A' ' 37' ' ' LEU . 8.8 m0 -76.7 144.58 39.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.7 p -134.83 -166.19 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -39.1 -56.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -44.27 -61.85 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.502 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 17.0 mp0 -52.12 -42.53 63.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.485 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -62.67 -37.52 86.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -59.06 -24.56 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' A' ' 21' ' ' LEU . 3.8 tttm -69.37 -50.77 43.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.854 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.0 t -48.83 -46.18 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.595 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -62.8 -32.9 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.12 -20.83 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.569 HD11 ' HD3' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -78.83 -50.69 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.899 ' CG2' HD11 ' A' ' 33' ' ' ILE . 91.8 t -60.02 -38.04 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -66.79 -34.03 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -82.1 -25.75 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.856 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.2 m-30 -85.42 -59.0 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.679 ' C ' HG22 ' A' ' 27' ' ' THR . . . 47.76 108.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.679 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 164.22 -68.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.353 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.659 ' H ' HG23 ' A' ' 27' ' ' THR . 0.7 OUTLIER 166.41 48.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.84 93.11 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.583 ' CZ2' ' O ' ' A' ' 45' ' ' CYS . 44.3 m95 -100.35 -10.82 20.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -70.6 -41.93 71.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.856 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.57 -47.63 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.899 HD11 ' CG2' ' A' ' 22' ' ' VAL . 5.1 mp -58.1 -47.55 86.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.38 6.0 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' THR . 14.6 ttpt -111.79 -35.0 5.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.753 ' C ' HD23 ' A' ' 37' ' ' LEU . 12.5 m-70 -84.64 -45.59 12.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.849 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -103.28 67.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.81 -177.88 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 89.41 -35.6 3.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -116.32 32.09 6.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.6 mm? 41.12 -167.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 44' ' ' GLN . . . -128.7 17.84 5.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLY . 5.3 tttm -40.0 -30.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 44' ' ' GLN . 1.3 tm0? -98.79 54.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 30' ' ' TRP . 20.2 p -91.26 17.26 8.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 50' ' ' HIS . 3.7 mtm105 -158.35 101.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 23.2 tt0 -175.44 110.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 2.6 tmt_? 87.79 -22.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -111.36 -32.46 6.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.035 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -92.56 -78.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.614 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.823 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -68.89 67.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -149.54 -65.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.608 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.77 63.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -50.79 126.25 23.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -157.27 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.69 -168.37 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.732 HG12 ' N ' ' A' ' 58' ' ' LYS . 49.5 t -82.46 -101.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.732 ' N ' HG12 ' A' ' 57' ' ' VAL . 4.4 mttt -149.97 -165.13 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -64.86 112.52 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.4 OUTLIER 165.49 155.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.049 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -91.02 23.13 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.595 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 93.1 m95 -94.7 -172.3 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -131.15 -169.87 2.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.0 mt-10 -76.49 -74.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.3 mt-10 -47.65 -33.83 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 88' ' ' LEU . 3.1 mt-10 -64.23 -26.43 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -75.91 -61.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 69' ' ' ILE . 11.3 ptp180 -56.71 -53.01 62.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.485 HG22 HD11 ' A' ' 88' ' ' LEU . 84.4 mt -46.19 -73.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.877 HG23 HG21 ' A' ' 84' ' ' ILE . 29.6 mt -45.57 -51.58 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -50.2 -22.81 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.843 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.7 mt-10 -94.66 -47.49 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 1.025 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.99 -19.42 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.781 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.6 t-80 -83.5 -18.69 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 7.82 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.8 t -115.24 -32.43 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.025 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -122.2 -69.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.781 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.35 -124.67 1.99 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.64 21.61 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.503 ' HD3' ' CG ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -72.54 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.673 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.9 m95 -51.29 -36.52 42.78 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.21 -24.11 25.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.503 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 7.0 mm-40 -102.94 -35.48 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.877 HG21 HG23 ' A' ' 70' ' ' ILE . 4.2 mm -55.4 -54.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -60.41 -38.18 83.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -60.45 -22.75 63.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.23 -13.94 39.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.619 HD13 HG12 ' A' ' 70' ' ' ILE . 5.2 mp -131.38 102.74 15.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 104.39 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.536 1.808 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.79 -24.34 0.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.684 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 26.8 mmt180 -133.56 155.63 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 30.1 p -96.91 -166.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.95 -47.13 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -14.75 23.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.684 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -81.57 -66.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.734 HG11 HG21 ' A' ' 84' ' ' ILE . 54.2 t -54.88 -55.39 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.626 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -36.85 -59.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.9 t-20 -59.74 -52.89 63.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.064 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.6 t60 -45.3 -25.6 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.584 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.821 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.7 t-105 -64.19 -68.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 107.972 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.7 m-80 -68.99 -3.89 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 68.4 m -72.17 -80.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.32 -13.28 7.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.064 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -90.18 29.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.5 OUTLIER -147.12 110.35 4.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.832 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -81.72 -74.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 2.9 tttt -66.85 80.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 106' ' ' ARG . 1.3 t -99.04 -57.21 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' VAL . 4.0 t70 38.75 72.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.823 HG23 ' O ' ' A' ' 2' ' ' ILE . 4.0 tp 34.02 59.19 1.99 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.549 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.1 Cg_endo -75.05 -160.04 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.5 1.789 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.728 ' O ' HD12 ' A' ' 5' ' ' LEU . 32.6 t0 -63.92 174.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 70.86 14.71 6.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 3' ' ' PRO . 54.2 t -98.49 -25.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.58 18.37 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 167.3 71.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.48 6.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.68 ' CZ3' HD23 ' A' ' 37' ' ' LEU . 7.9 m95 -79.39 171.52 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 108.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.469 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 18.4 p -152.08 -162.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 1.9 tttt -64.29 -26.46 68.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.01 -71.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' HD21 ' A' ' 37' ' ' LEU . 72.2 mm-40 -50.65 -40.22 52.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.8 m-20 -64.14 -37.06 86.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -59.99 -24.47 64.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -70.0 -54.32 13.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.894 HG13 HG13 ' A' ' 33' ' ' ILE . 2.8 t -48.03 -49.19 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.665 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -56.41 -39.43 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.84 -16.34 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -85.72 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.736 ' CG2' HD11 ' A' ' 33' ' ' ILE . 91.9 t -48.22 -25.9 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -59.12 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -11.51 58.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.3 m-30 -95.43 -56.08 2.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.618 ' C ' HG22 ' A' ' 27' ' ' THR . . . 50.77 97.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.618 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER 165.73 -60.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 177.99 -81.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.735 ' O ' HD12 ' A' ' 33' ' ' ILE . 6.2 mt-30 40.2 53.05 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.603 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 37.9 m95 -65.92 -24.29 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -67.64 -42.27 82.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -54.36 -53.93 47.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.894 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -47.18 -80.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -42.51 -49.47 5.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.5 ttmt -59.87 -38.51 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.771 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.5 m-70 -84.12 1.37 44.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.688 ' CD1' HG21 ' A' ' 18' ' ' VAL . 51.2 mt -154.97 93.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -95.47 -172.17 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.59 -7.88 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.25 -168.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.83 138.7 31.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.456 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -81.66 7.82 60.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.3 OUTLIER -62.2 -137.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' LYS . 17.9 pt20 35.19 34.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.543 ' HB3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -119.33 -171.89 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.603 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 47.4 mtp180 36.48 73.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -147.17 -45.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.97 71.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.665 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 21.3 p90 -107.51 -26.25 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.12 -52.85 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.611 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.702 HD22 ' N ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -100.4 86.75 3.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -163.62 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.577 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.928 HD12 ' HD3' ' A' ' 55' ' ' PRO . 0.2 OUTLIER 61.12 153.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 12.8 t-20 176.15 64.4 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.928 ' HD3' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 -157.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.33 -176.52 5.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 64' ' ' GLU . 2.5 t -65.35 -37.86 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER 178.68 150.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER -63.51 102.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 85.19 -152.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m 49.52 -146.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.058 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.755 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 40.7 m95 -61.98 -175.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 107.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 p -144.39 -155.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.438 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 57' ' ' VAL . 1.1 mt-10 -79.74 -82.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -46.63 -27.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.5 mt-10 -71.48 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.3 t70 -66.37 -52.85 42.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 69' ' ' ILE . 29.6 mmm-85 -55.46 -62.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.653 ' CG2' HD21 ' A' ' 88' ' ' LEU . 52.3 mt -35.58 -50.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.445 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -53.83 -64.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.8 t80 -59.3 -14.81 12.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -84.84 -33.8 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.585 ' CB ' HD13 ' A' ' 84' ' ' ILE . . . -85.29 -29.43 24.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.753 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.9 t-80 -65.56 -14.14 60.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -103.54 15.09 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -119.51 -37.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.739 HD22 ' HD2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -120.97 -70.19 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 147.86 -116.76 0.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.27 20.04 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.739 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.6 55.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.3 m95 -51.71 -37.43 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.27 -25.1 21.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.5 ' CG ' ' HD3' ' A' ' 80' ' ' ARG . 2.4 mm-40 -100.24 -41.32 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.057 HG21 HG11 ' A' ' 96' ' ' VAL . 4.0 mm -47.26 -44.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -68.84 -36.11 77.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -59.52 -19.23 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 mt -93.73 -16.31 24.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 84' ' ' ILE . 1.1 mp -129.77 101.41 18.51 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.448 1.762 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.96 -24.17 0.61 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.571 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 31.5 mmt180 -125.81 158.89 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.2 p -99.6 -164.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.365 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -50.6 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -14.22 35.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -75.64 -67.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.057 HG11 HG21 ' A' ' 84' ' ' ILE . 97.1 t -55.78 -53.79 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -61.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.9 t-20 -57.05 -41.92 79.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.755 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.6 t60 -53.24 -20.31 3.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.539 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -73.78 -43.78 57.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 107.997 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.459 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 54.0 m-80 -93.66 -0.92 55.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 98' ' ' ASN . 34.7 m -77.35 -74.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.73 -6.83 3.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.842 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 16.3 mt -107.26 43.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.555 ' CD ' ' H ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -109.29 35.78 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -84.97 -75.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.67 69.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 106' ' ' ARG . 2.1 t -84.15 -53.42 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -152.85 78.75 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.483 HD13 ' C ' ' A' ' 5' ' ' LEU . 1.2 pp -150.33 163.4 24.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.04 161.73 38.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.797 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.58 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 11.6 t70 32.46 40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.699 HD12 ' NZ ' ' A' ' 38' ' ' LYS . 0.4 OUTLIER 44.57 -167.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.511 HG12 ' H ' ' A' ' 7' ' ' LYS . 2.8 t -69.32 -133.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 43.29 25.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 112.13 75.7 0.76 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.72 23.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.459 1.768 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.995 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.0 m0 -61.15 150.95 32.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' LYS . 31.0 p -139.81 -163.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.6 tttt -38.72 -53.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -44.25 -72.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.628 ' CD ' ' CE3' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -50.59 -40.33 52.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.593 ' HA ' HD11 ' A' ' 37' ' ' LEU . 14.0 m-20 -63.53 -28.45 69.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.43 -28.49 69.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.522 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.65 -46.73 68.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.768 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.0 t -52.75 -45.58 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.579 HG13 ' CZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -57.27 -40.86 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -69.63 -25.18 63.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD13 HD13 ' A' ' 32' ' ' LEU . 1.8 mt -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.958 HG22 HD11 ' A' ' 33' ' ' ILE . 3.4 t -52.52 -23.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -55.91 7.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -65.47 -24.23 67.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.68 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -84.31 -58.53 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.544 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 31.15 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.679 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 178.43 -63.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 0.74 . . . . 0.0 110.411 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.679 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 166.27 45.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.589 HE22 HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -114.25 87.09 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 46' ' ' ARG . 33.5 m95 -93.65 -7.55 43.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.86 -40.67 91.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.68 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.01 -48.71 67.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.958 HD11 HG22 ' A' ' 22' ' ' VAL . 4.8 mp -57.97 -54.0 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.51 -5.3 27.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.4 tttt -99.78 -35.64 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.838 ' C ' HD23 ' A' ' 37' ' ' LEU . 11.6 m170 -84.27 -48.11 10.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.995 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -105.7 80.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.699 ' NZ ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -74.16 -166.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 90.39 -18.84 47.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -137.19 153.91 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.92 -175.53 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.02 25.09 9.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -53.37 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.366 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.0 48.2 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.578 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -81.16 -42.55 20.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -89.72 -146.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 tt0 85.2 59.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -165.02 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CZ3' HG13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -91.14 -10.64 41.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.991 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -33.16 11.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.648 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.667 HD22 ' N ' ' A' ' 51' ' ' ASN . 1.1 m-80 -109.22 63.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.33 -79.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 mp 55.89 75.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -146.61 72.77 12.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -157.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.38 -169.67 2.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.625 HG21 ' O ' ' A' ' 63' ' ' THR . 60.1 t -91.62 22.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 67.76 58.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 33.95 -91.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.599 ' N ' ' O ' ' A' ' 58' ' ' LYS . 83.8 p -53.29 166.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.7 OUTLIER 83.57 -154.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 74.5 m95 -63.78 176.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.022 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.625 ' O ' HG21 ' A' ' 57' ' ' VAL . 4.4 p -124.87 -156.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mm-40 -83.78 -82.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.38 -26.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.599 ' OE1' HD13 ' A' ' 88' ' ' LEU . 2.3 mt-10 -71.86 -42.71 66.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -66.82 -46.48 75.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.7 mmm-85 -55.95 -63.38 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ALA . 68.1 mt -37.08 -68.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.984 HD13 HG13 ' A' ' 96' ' ' VAL . 30.0 mt -49.68 -46.79 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.66 -14.98 57.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' O ' HG21 ' A' ' 76' ' ' VAL . 2.9 pt-20 -127.58 21.41 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.971 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -121.57 -15.61 7.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.951 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 16.2 t-80 -90.56 -23.4 20.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.6 13.83 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 72' ' ' GLU . 4.2 t -118.76 -33.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.971 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -121.68 -76.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.726 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 169.1 -140.96 6.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.57 28.14 3.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.546 ' HD3' HD13 ' A' ' 77' ' ' LEU . 2.7 ptm85 -74.42 48.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.951 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.8 m95 -41.58 -34.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.94 -19.42 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' HG3' ' A' ' 80' ' ' ARG . 5.3 mm-40 -112.5 -47.4 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.936 ' CG2' HG11 ' A' ' 96' ' ' VAL . 4.1 mm -42.68 -36.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -77.45 -45.78 24.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -49.62 -23.52 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.55 -39.3 58.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.599 HD13 ' OE1' ' A' ' 66' ' ' GLU . 13.1 mt -104.45 118.17 57.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.03 2.39 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.06 -25.32 1.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 25.4 mmt-85 -110.02 162.51 14.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 25.1 p -112.43 -55.86 2.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.3 -64.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -29.11 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -66.29 -66.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.984 HG13 HD13 ' A' ' 70' ' ' ILE . 58.7 t -56.45 -55.77 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.627 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -38.8 -66.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.1 t-20 -54.41 -53.9 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 28.6 t60 -43.44 -27.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 1.174 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 8.6 t-105 -62.8 -65.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 107.954 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.496 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 70.4 m-80 -75.69 -1.95 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 2.0 t -76.99 -74.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -114.98 -17.18 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.174 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 5.0 mm -86.8 28.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 15.2 mmtt -153.16 77.96 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -40.75 96.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 3.4 tttt -83.0 70.12 9.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 109' ' ' ASP . 1.0 OUTLIER -152.62 -46.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 108' ' ' VAL . 6.3 t0 -154.77 81.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.391 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.661 HD12 ' CG2' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -113.28 170.56 5.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -163.25 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.734 ' O ' HD12 ' A' ' 5' ' ' LEU . 4.1 t70 -64.56 174.16 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 78.16 15.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.661 ' CG2' HD12 ' A' ' 2' ' ' ILE . 36.4 t -106.23 -26.52 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 22.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.09 66.72 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.773 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 7.9 m95 -76.36 170.52 16.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 108.015 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 19.9 p -152.16 -163.01 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLN . 10.5 tmtt? -60.21 -32.14 70.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -50.95 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 80.9 mm-40 -51.0 -39.62 56.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -64.92 -26.97 68.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.576 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 3.9 tttt -69.78 -39.52 76.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.058 HG11 HG23 ' A' ' 33' ' ' ILE . 7.4 t -64.32 -57.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.621 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -49.29 -29.65 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.19 -28.43 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.485 HD23 ' CE1' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -70.26 -41.13 73.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.599 ' CG2' HD11 ' A' ' 33' ' ' ILE . 44.4 t -69.6 -30.11 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -71.21 -27.85 63.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -26.82 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 26' ' ' GLY . 4.6 m-30 -86.82 -55.82 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.51 101.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 177.64 -66.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.444 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.651 ' H ' HG23 ' A' ' 27' ' ' THR . 12.8 tptt 178.65 37.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -111.44 91.67 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 50' ' ' HIS . 53.9 m95 -109.93 -12.54 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.67 -44.63 70.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -54.37 -18.95 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.058 HG23 HG11 ' A' ' 18' ' ' VAL . 17.1 mm -65.82 -61.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -72.88 -30.64 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -27.98 68.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.781 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 11.8 m170 -84.19 -53.19 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.629 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.798 HD21 HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.67 96.22 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -84.06 -159.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.78 -56.89 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.68 166.12 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.99 116.65 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.812 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -56.85 -24.24 48.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -153.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 40.98 31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.48 -45.95 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 0.0 OUTLIER -39.92 -54.33 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.91 86.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.459 ' C ' ' HB2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER 165.52 -21.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.621 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -155.22 -38.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 108.05 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 12.4 t-80 -62.23 -39.15 91.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 52' ' ' HIS . 1.8 m-80 -108.95 -27.16 9.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.459 ' HB2' ' C ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -37.61 -43.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.57 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.28 113.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -97.25 111.62 58.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -157.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.82 -171.82 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.61 HG21 ' O ' ' A' ' 63' ' ' THR . 2.3 t -66.16 -18.47 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 174.19 62.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 33.74 87.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 84.43 -152.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.7 p 53.37 -146.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.6 m95 -61.84 175.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.61 ' O ' HG21 ' A' ' 57' ' ' VAL . 59.8 p -135.63 -159.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASP . 4.3 mm-40 -78.04 -79.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 69' ' ' ILE . 6.4 mt-10 -44.67 -40.3 5.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 16.3 mt-10 -60.28 -36.88 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t0 -63.67 -52.71 59.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.8 mtp180 -59.44 -58.7 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.524 HG22 HD11 ' A' ' 88' ' ' LEU . 67.1 mt -34.92 -47.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -57.15 -66.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 1.5 t80 -58.71 -15.07 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -86.91 -17.54 32.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -105.39 -28.95 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.775 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 11.6 t-80 -70.62 -14.09 62.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -103.98 14.04 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.6 t -119.55 -40.03 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -116.96 -73.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.775 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.47 -124.72 1.42 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.71 25.07 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.8 57.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.732 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 15.0 m95 -53.12 -36.49 60.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 108.015 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.49 53.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -100.5 -35.05 9.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.848 HG21 HG11 ' A' ' 96' ' ' VAL . 4.2 mm -56.15 -52.61 48.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -62.59 -39.43 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -48.62 -28.47 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -34.66 30.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 88' ' ' LEU . 2.1 mp -114.62 105.81 53.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.62 8.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.64 -10.74 75.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.7 mmt180 -148.43 167.41 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 16.7 p -112.2 -171.64 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -66.14 -67.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.9 -29.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -69.09 -65.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.848 HG11 HG21 ' A' ' 84' ' ' ILE . 98.0 t -53.96 -56.35 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.612 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -39.75 -69.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 102' ' ' SER . 5.2 t-20 -55.45 -52.51 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.713 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 26.5 t60 -44.48 -30.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 1.197 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 6.3 t-105 -59.48 -65.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.585 ' O ' HG11 ' A' ' 108' ' ' VAL . 69.5 m-80 -74.22 -3.19 28.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.581 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 7.5 t -75.06 -75.91 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -115.95 -14.41 11.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.197 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 2.8 mm -88.25 28.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.488 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 6.1 mmtt -152.64 114.07 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.3 OUTLIER -72.81 -67.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.557 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.5 OUTLIER -66.73 72.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.585 HG11 ' O ' ' A' ' 101' ' ' ASN . 1.6 t -158.28 -53.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 108' ' ' VAL . 5.1 t70 38.32 71.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' C ' HG13 ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.944 ' HB ' HG21 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 58.39 147.36 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.924 ' HD2' HG22 ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.96 -160.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.664 ' O ' HD12 ' A' ' 5' ' ' LEU . 21.1 t70 -63.36 173.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 71.5 15.54 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.944 HG21 ' HB ' ' A' ' 2' ' ' ILE . 14.0 t -107.68 -22.66 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 19.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 170.04 65.51 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 140.45 25.25 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.593 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 10.6 m95 -64.33 160.99 17.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.028 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.8 p -152.97 165.86 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 11' ' ' THR . 12.1 tttm -36.9 -49.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.61 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.07 -46.34 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.774 ' HB2' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -55.01 -41.31 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.459 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.9 m-20 -71.59 -70.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 2.5 pt20 -41.23 -36.57 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.693 ' HD3' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.65 -74.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 33' ' ' ILE . 2.9 t -39.77 -36.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.732 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -62.73 -67.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.3 tt0 -49.33 -21.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.773 HD13 ' CD2' ' A' ' 32' ' ' LEU . 6.0 mt -76.6 -64.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.873 HG22 HD11 ' A' ' 33' ' ' ILE . 11.4 t -50.36 -22.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -44.09 49.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -19.54 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.536 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -92.89 -57.01 2.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 25.48 93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -170.25 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.37 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 165.93 -7.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.507 ' H ' HG23 ' A' ' 27' ' ' THR . 9.2 mt-30 -69.65 83.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.617 ' HA ' HD13 ' A' ' 33' ' ' ILE . 25.7 m95 -91.35 -0.78 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.57 -43.98 58.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.886 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -50.83 -24.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 18' ' ' VAL . 2.8 mp -71.95 -45.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.681 ' HB2' ' HA2' ' A' ' 42' ' ' GLY . . . -101.49 22.72 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -117.45 -32.98 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.693 ' CE1' HD23 ' A' ' 32' ' ' LEU . 6.3 m170 -84.9 -12.87 52.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.774 HD13 ' HB2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -141.18 115.7 9.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -90.91 157.05 17.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.27 51.57 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER 170.45 158.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.13 137.92 33.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.681 ' HA2' ' HB2' ' A' ' 34' ' ' ALA . . . -68.01 -10.41 58.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -66.59 -147.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER 34.14 59.99 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 2.9 p -114.85 170.77 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.336 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.508 ' HB3' ' CD2' ' A' ' 50' ' ' HIS . 4.3 ptt180 35.15 88.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.7 38.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.51 -47.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.732 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -117.77 -8.15 10.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 108.016 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 25.3 t-80 -95.41 -40.25 9.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -112.29 59.32 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -130.29 -45.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.583 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.598 HD23 ' HD3' ' A' ' 55' ' ' PRO . 1.2 tt -39.57 118.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -148.29 85.44 6.32 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.598 ' HD3' HD23 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -169.2 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.47 -9.86 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.479 ' CB ' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER 171.6 168.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.57 -24.9 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 97.1 p -140.12 66.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.479 ' OG ' ' CB ' ' A' ' 58' ' ' LYS . 12.5 p -177.99 -152.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.623 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 63.3 m95 -62.94 173.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.986 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.0 p -130.07 -157.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mt-10 -81.68 -80.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -45.29 -33.51 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.7 mt-10 -66.11 -38.71 88.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -61.23 -53.51 55.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 69' ' ' ILE . 15.6 mmm180 -56.59 -64.87 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.528 ' C ' ' O ' ' A' ' 68' ' ' ARG . 87.1 mt -30.87 -46.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -58.5 -62.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.676 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -56.88 -56.1 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -56.53 -16.53 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -93.99 -39.69 10.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.799 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.1 t-80 -62.32 -13.41 28.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.577 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.23 15.3 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.5 t -120.15 -38.25 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.679 HD22 ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -122.0 -70.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.799 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 149.55 -119.93 1.1 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.56 21.53 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.533 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.6 55.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.68 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -51.63 -35.61 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.52 -24.36 55.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.679 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -100.31 -36.79 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.859 HG21 HG11 ' A' ' 96' ' ' VAL . 3.8 mm -53.54 -51.34 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -62.55 -33.95 75.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.76 1.85 28.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.418 HD22 ' OE1' ' A' ' 66' ' ' GLU . 9.4 mt -111.43 159.99 30.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.32 19.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -151.64 -142.55 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' GLY . 29.4 mmt180 55.52 164.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 45.5 p -122.02 -64.94 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' N ' ' OG1' ' A' ' 92' ' ' THR . 2.1 p-10 -176.43 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -14.16 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.31 -64.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.859 HG11 HG21 ' A' ' 84' ' ' ILE . 92.4 t -54.33 -58.04 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.637 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.9 ttpp -38.9 -61.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.7 t-20 -59.18 -54.85 42.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.734 ' CD2' HD11 ' A' ' 104' ' ' ILE . 11.7 t60 -44.33 -28.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.548 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 1.078 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 7.2 t-105 -62.37 -67.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.465 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.8 m-80 -71.93 -2.81 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.533 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 63.4 m -73.32 -80.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -116.0 -15.4 11.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.078 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.8 mt -88.86 32.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 14.7 mmtt -153.22 100.8 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.803 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.5 mtm180 -84.52 -69.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -65.92 72.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 106' ' ' ARG . 1.6 t -99.25 -40.17 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.9 23.75 3.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.3 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -160.02 167.01 14.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.6 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.04 -168.44 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 5' ' ' LEU . 13.6 t70 -64.78 176.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 73.83 15.38 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 3' ' ' PRO . 66.8 t -97.97 -26.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.96 23.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.7 70.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.59 6.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.667 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m0 -75.51 169.43 18.1 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.464 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 20.6 p -152.01 -172.98 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 tptt -49.51 -31.05 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -50.53 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 17.2 mp0 -50.87 -39.88 54.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 74.7 m-20 -63.12 -29.9 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -67.9 -26.97 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 17.5 tttt -65.56 -51.42 59.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.912 HG11 HG23 ' A' ' 33' ' ' ILE . 9.8 t -51.28 -56.1 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.55 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.9 OUTLIER -54.08 -30.54 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.38 -24.23 32.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.639 HD13 ' CD2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -70.79 -43.43 68.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.705 ' CG2' HD11 ' A' ' 33' ' ' ILE . 45.6 t -70.55 -37.12 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -16.66 62.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.32 -23.62 12.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.637 ' CD2' ' NE2' ' A' ' 29' ' ' GLN . 4.4 m-30 -87.92 -57.28 2.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.511 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 41.74 101.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 174.45 -64.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 0.776 . . . . 0.0 110.391 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.694 ' H ' HG23 ' A' ' 27' ' ' THR . 0.9 OUTLIER 168.93 54.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.637 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 19.7 mt-30 -114.08 98.96 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.712 ' HA ' HD13 ' A' ' 33' ' ' ILE . 33.7 m95 -112.77 -6.11 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 108.062 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -84.48 -49.08 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.427 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.843 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -50.85 -23.49 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.912 HG23 HG11 ' A' ' 18' ' ' VAL . 2.3 mp -70.91 -45.23 74.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.18 18.71 16.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.73 -31.62 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.677 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 7.9 m170 -85.36 -51.9 6.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.667 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 5.9 mt -84.39 86.28 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -160.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.73 -50.87 4.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.107 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.72 -178.55 5.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -72.55 149.99 43.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.57 144.69 0.1 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 80.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER 63.4 78.51 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.3 p -51.37 136.8 24.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 45.9 mtm-85 43.33 87.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -164.62 126.98 2.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 9.2 ttm-85 80.91 -3.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.619 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 7.0 m0 -129.5 -67.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 108.018 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -56.94 -66.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.677 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -90.58 84.88 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.05 -45.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.51 112.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -171.8 80.45 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -157.74 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.05 -170.38 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.618 HG12 ' N ' ' A' ' 58' ' ' LYS . 93.0 t -83.23 -105.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.618 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.5 OUTLIER 40.31 -162.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER 58.23 -166.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.3 p -65.35 75.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 59' ' ' LYS . 4.6 p -177.14 -156.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.62 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 80.8 m95 -63.22 176.21 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.504 ' OG1' ' CG ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -129.21 -166.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -77.25 -78.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -48.23 -27.16 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' CG ' ' OG1' ' A' ' 63' ' ' THR . 20.7 mt-10 -72.33 -41.01 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.09 -50.89 72.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 69' ' ' ILE . 10.5 mtp180 -57.6 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.518 HD13 HD11 ' A' ' 88' ' ' LEU . 76.1 mt -33.56 -38.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -68.14 -65.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.31 -53.46 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 pt-20 -54.24 -47.23 72.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -61.51 -40.25 93.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.78 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.0 t-80 -65.73 -13.58 59.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.581 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.55 7.14 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.7 t -118.25 -47.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.485 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -104.6 -76.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.753 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.86 -128.15 1.99 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.26 22.67 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.494 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.18 57.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.78 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -51.91 -34.74 42.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.5 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.629 ' OE2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -102.57 -30.15 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.877 HG21 HG11 ' A' ' 96' ' ' VAL . 7.1 mm -57.87 -48.48 83.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -66.04 -40.02 90.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.58 -29.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.629 HD12 ' OE2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -74.58 -44.15 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 88' ' ' LEU . 1.6 mm? -95.93 113.17 61.58 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.04 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.15 -52.28 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.929 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 81.7 mmt-85 -85.54 152.05 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 42.5 p -110.61 -163.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.425 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -74.29 -64.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -42.14 -30.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.43 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -69.51 -65.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.877 HG11 HG21 ' A' ' 84' ' ' ILE . 93.5 t -57.02 -59.7 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.1 ttpp -36.63 -59.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' SER . 7.6 t-20 -58.08 -56.98 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.02 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.7 t60 -44.02 -27.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.744 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.0 t-105 -63.36 -70.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.036 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.449 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.7 m-80 -68.66 -4.02 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.491 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 70.6 m -71.78 -81.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -121.56 -12.68 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.02 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.1 mt -92.82 34.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 8.5 mmtt -148.78 94.22 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.447 ' NE ' ' HB2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -61.98 -49.51 75.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.447 ' HB2' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -72.63 58.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -155.51 -48.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -88.41 45.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.497 ' CD1' HG11 ' A' ' 6' ' ' VAL . 24.7 pt -73.62 134.46 79.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.738 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -74.99 -159.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.761 ' O ' HD12 ' A' ' 5' ' ' LEU . 25.7 t70 -62.95 174.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 88.47 2.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 3' ' ' PRO . 11.7 t -92.1 -130.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.671 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.49 30.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.19 80.62 0.78 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 123.81 8.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.915 ' CE3' HD22 ' A' ' 37' ' ' LEU . 8.1 m0 -73.91 139.85 45.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.8 p -129.06 -164.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.366 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -42.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.575 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -43.13 -55.46 3.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.516 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -53.01 -43.71 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.642 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.1 m-20 -62.89 -43.73 97.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.575 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -52.3 -24.54 7.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 8.9 tttm -71.46 -51.49 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.918 HG13 HG13 ' A' ' 33' ' ' ILE . 1.8 t -47.55 -35.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.562 HD12 ' CZ2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -66.08 -47.06 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.29 -37.98 89.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.599 HD13 ' CE1' ' A' ' 36' ' ' HIS . 3.0 mt -67.06 -46.26 74.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.948 ' CG2' HD11 ' A' ' 33' ' ' ILE . 75.1 t -66.56 -15.01 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.07 -43.99 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 -24.69 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 1.091 ' CD2' HD23 ' A' ' 32' ' ' LEU . 5.0 m-85 -85.42 -56.66 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.949 ' O ' HG23 ' A' ' 27' ' ' THR . . . 131.43 -108.71 0.82 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.949 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -179.42 55.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -132.66 -40.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 1.5 mp0 -73.41 -66.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.609 ' HA ' HD13 ' A' ' 33' ' ' ILE . 48.6 m95 68.73 4.69 4.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -79.28 -38.57 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.091 HD23 ' CD2' ' A' ' 25' ' ' TYR . 1.1 pp -54.44 -50.94 66.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.948 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.8 mp -46.37 -79.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . . . -45.89 -45.35 15.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 31' ' ' THR . 8.7 ttmt -56.65 -35.64 68.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CE1' HD13 ' A' ' 21' ' ' LEU . 12.0 m170 -84.06 -66.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.565 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.915 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.3 OUTLIER -86.22 60.77 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -66.51 -168.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 38' ' ' LYS . . . 113.6 -42.06 2.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.66 34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' ALA . 3.0 mm? -92.06 -172.45 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.77 5.55 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.35 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 73.85 5.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 30' ' ' TRP . 21.1 p -127.47 164.41 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 37.46 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -178.62 -40.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.44 ' O ' ' CG ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -89.45 -20.99 23.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.617 ' CZ3' HG11 ' A' ' 22' ' ' VAL . 2.3 m0 -92.05 -43.25 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.985 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' HIS . 27.5 m-70 -62.42 -104.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.593 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.748 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -63.74 80.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -156.35 -51.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.555 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.05 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.7 t30 40.97 65.79 4.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -157.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.001 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.44 -167.71 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.919 HG11 ' HB2' ' A' ' 62' ' ' TRP . 14.1 t -92.8 20.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' CD ' ' O ' ' A' ' 57' ' ' VAL . 0.6 OUTLIER 81.2 86.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 41.33 -161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.7 p -44.44 112.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p -179.33 -153.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.919 ' HB2' HG11 ' A' ' 57' ' ' VAL . 71.1 m95 -62.56 176.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.2 -166.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -74.45 -78.61 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.97 -34.62 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.488 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 22.5 mt-10 -65.47 -38.61 90.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.9 t70 -60.46 -52.6 64.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 69' ' ' ILE . 18.1 mmm180 -59.17 -61.41 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 77.9 mt -36.5 -50.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.2 mm -57.07 -67.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.558 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -51.15 -19.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -80.2 -62.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -50.96 -36.39 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.731 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 13.8 t-80 -61.87 -14.25 32.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.57 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 14.84 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.6 t -121.55 -40.4 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -115.77 -73.67 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.731 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 155.76 -119.54 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 22.12 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 56.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.625 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.6 m95 -52.52 -36.67 55.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.029 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.45 -23.39 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.649 ' O ' HD12 ' A' ' 87' ' ' LEU . 27.4 mm-40 -101.91 -33.95 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.072 HG21 HG11 ' A' ' 96' ' ' VAL . 5.8 mm -52.94 -50.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.52 -45.31 84.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.05 -29.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -76.02 -50.7 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.2 mt -94.62 118.26 66.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.58 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.78 -23.08 0.62 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.494 ' HG3' ' CH2' ' A' ' 62' ' ' TRP . 21.6 mmt180 -108.06 170.76 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 93' ' ' ASP . 40.7 p -123.37 -65.56 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.435 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER -172.42 -53.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -14.33 29.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . . . -77.06 -68.05 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.072 HG11 HG21 ' A' ' 84' ' ' ILE . 67.0 t -56.03 -54.48 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.3 ttpp -40.79 -61.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -55.54 -53.52 55.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.048 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.7 t60 -45.18 -26.43 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.608 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.833 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.7 t-105 -64.27 -68.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.1 m-80 -68.95 -3.33 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.473 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.2 m -72.84 -81.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.32 -13.64 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.048 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -89.95 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 16.1 mmmt -147.22 113.16 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -69.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 2.2 tttt -69.17 79.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' ASP . 1.1 t -153.89 -46.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' VAL . 6.0 t0 38.71 71.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.921 HD12 HG22 ' A' ' 6' ' ' VAL . 2.5 pt -75.09 159.43 82.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.605 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -74.93 -161.64 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.441 1.759 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.721 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.7 t70 -64.25 -174.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.721 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 71.89 19.36 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.921 HG22 HD12 ' A' ' 2' ' ' ILE . 65.1 t -74.99 -30.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.81 17.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 169.75 65.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.23 37.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.621 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 11.0 m95 -72.46 157.53 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.499 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 4.9 p -152.95 174.31 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.53 -31.11 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -63.5 -15.32 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' CD ' ' C ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -89.01 -42.92 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.607 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -73.68 -18.74 60.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 10.5 pt20 -85.66 -42.39 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.5 ttmm -72.4 -51.75 19.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.864 HG13 HG13 ' A' ' 33' ' ' ILE . 3.0 t -55.85 -40.16 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.672 ' HA ' ' HH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -61.52 -53.06 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -17.6 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' A' ' 32' ' ' LEU . 1.3 mt -90.34 -48.41 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.871 ' CG1' HG23 ' A' ' 27' ' ' THR . 59.6 t -50.09 -23.77 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 13.3 ptpt -91.58 -43.82 9.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -70.38 -11.79 61.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CE1' HD23 ' A' ' 21' ' ' LEU . 3.3 m-85 -108.68 -49.54 3.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.82 -1.23 12.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.871 HG23 ' CG1' ' A' ' 22' ' ' VAL . 1.2 m 82.08 26.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 -67.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.701 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.8 mt-30 -74.39 83.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' CG ' ' A' ' 46' ' ' ARG . 27.9 m95 -67.59 -7.03 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -72.28 -42.25 65.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.92 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -51.45 -25.31 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.879 HD12 HD13 ' A' ' 32' ' ' LEU . 2.8 mp -71.94 -41.85 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.72 23.69 12.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -118.97 -32.8 4.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.689 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 6.0 m170 -84.19 -21.6 31.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.574 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.621 ' HB2' ' CH2' ' A' ' 10' ' ' TRP . 3.3 mm? -102.43 96.73 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 109.66 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 173.32 -30.95 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 79.68 60.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' HB2' ' CZ2' ' A' ' 10' ' ' TRP . 3.0 mm? -86.47 -175.97 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.44 44.22 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -128.78 -74.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -70.69 61.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.6 p -100.15 140.83 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.586 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 50.4 mtt180 65.44 87.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -165.87 67.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -179.72 -42.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.742 ' CZ2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -109.98 -22.18 11.96 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.87 -72.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.595 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.745 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -40.59 -44.64 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -62.37 -52.74 62.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.32 56.49 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 3.0 t-20 -165.56 64.67 0.99 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.0 -157.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' PRO . 29.6 tt0 37.32 90.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.915 HG22 ' HB ' ' A' ' 63' ' ' THR . 4.2 t -73.39 -14.55 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER 61.21 138.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -27.65 59.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -45.5 -41.59 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.032 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 p -164.25 170.44 16.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 22.5 m95 -65.16 -176.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.915 ' HB ' HG22 ' A' ' 57' ' ' VAL . 7.5 m -157.38 -133.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 6.0 mt-10 -95.05 -77.05 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -40.09 -66.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.771 ' CD ' HD22 ' A' ' 88' ' ' LEU . 1.5 mt-10 -46.78 -29.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 6.6 t0 -63.82 -59.24 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' GLU . 53.1 mtp180 -57.64 -54.48 46.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ARG . 96.9 mt -38.8 -50.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.786 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -55.86 -69.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -50.38 -20.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -77.17 -44.2 31.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.589 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -73.7 -35.89 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.744 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.8 t-80 -65.83 -14.39 61.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -103.66 16.31 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 72' ' ' GLU . 6.5 t -125.88 -41.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.614 HD22 ' HG2' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -113.27 -77.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.744 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.99 -123.7 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.81 21.46 3.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.54 56.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.684 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 11.2 m95 -51.54 -34.62 37.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 108.032 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.76 -26.61 65.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.614 ' HG2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -110.41 -19.73 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.681 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -69.62 -47.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.32 69.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -62.61 -24.89 67.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.09 1.22 24.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.771 HD22 ' CD ' ' A' ' 66' ' ' GLU . 25.3 mt -113.28 160.79 30.0 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.34 11.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -170.04 -135.34 1.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 90' ' ' GLY . 18.3 mmt180 55.35 165.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -119.89 -177.47 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -72.33 -43.67 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -14.25 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.42 -63.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 70' ' ' ILE . 57.6 t -59.89 -51.64 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 9.7 ttpp -43.43 -56.71 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -62.17 -36.76 82.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.073 ' CD2' HD11 ' A' ' 104' ' ' ILE . 9.6 t60 -61.2 -25.79 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.607 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.928 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.6 OUTLIER -64.8 -45.48 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.511 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 54.4 m-80 -89.96 1.47 56.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.527 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 28.8 t -75.39 -84.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.14 -7.13 8.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.073 HD11 ' CD2' ' A' ' 99' ' ' HIS . 7.3 mt -87.27 38.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 21.3 mmtt -112.4 -167.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -95.05 -80.81 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 59.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -118.61 -51.62 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.502 ' N ' HG12 ' A' ' 108' ' ' VAL . 8.6 t70 36.67 62.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.835 ' CD1' HG13 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -75.46 177.85 2.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 2' ' ' ILE . 18.3 Cg_endo -75.01 -159.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 5' ' ' LEU . 22.9 t0 -62.09 167.41 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.782 HD21 ' HA3' ' A' ' 39' ' ' GLY . 0.3 OUTLIER 50.49 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.835 HG13 ' CD1' ' A' ' 2' ' ' ILE . 2.7 t -121.72 -143.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.71 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 38.39 28.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.51 78.59 0.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.64 7.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.591 ' CZ3' HD23 ' A' ' 37' ' ' LEU . 7.6 m0 -72.34 148.8 44.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.9 p -135.36 -167.79 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -40.32 -58.91 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -41.34 -56.97 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' CB ' ' HB3' ' A' ' 10' ' ' TRP . 1.7 mp0 -52.83 -44.92 67.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.471 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -62.2 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.571 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -53.93 -23.21 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 5.8 tttm -69.76 -53.46 18.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.867 HG13 HG13 ' A' ' 33' ' ' ILE . 2.2 t -45.77 -49.44 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.593 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -58.47 -37.7 65.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -76.65 -15.64 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -85.1 -59.95 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.763 HG22 HD11 ' A' ' 33' ' ' ILE . 2.7 t -57.49 -24.22 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -73.19 -56.16 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -68.73 -20.8 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.713 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.9 m-30 -85.11 -58.6 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.22 96.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.582 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -178.45 -59.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.582 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 166.58 54.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.558 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 31.3 mt-30 -120.28 97.15 5.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.745 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.5 m95 -113.91 -7.65 13.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 107.997 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -76.13 -39.98 53.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.822 HD12 ' N ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -52.97 -51.63 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.867 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -43.09 -47.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.62 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.5 ttpt -74.02 -37.89 64.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.5 m-70 -84.48 -59.3 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.591 HD23 ' CZ3' ' A' ' 10' ' ' TRP . 1.3 mt -87.88 76.41 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.94 -163.44 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.782 ' HA3' HD21 ' A' ' 5' ' ' LEU . . . 87.5 -33.68 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -174.9 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.2 mm? -69.95 141.34 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -35.72 129.76 0.8 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' GLN . 4.5 tptp -44.42 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.1 mp0 38.55 77.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 26.6 p -48.47 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.621 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 6.0 mtp180 77.53 117.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' NE2' ' A' ' 52' ' ' HIS . 0.6 OUTLIER 165.6 -29.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.612 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -71.88 -42.45 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -110.1 -23.35 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -40.51 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.71 HD22 ' N ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -107.97 -160.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.612 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 23.1 m-70 80.32 -49.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.576 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.86 79.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 176.47 69.94 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -157.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.54 151.61 40.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 t -114.69 -11.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 176.51 -168.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -74.0 58.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.9 OUTLIER -140.84 -99.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.5 OUTLIER 160.73 40.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.598 ' CH2' ' HB3' ' A' ' 91' ' ' ARG . 80.6 m95 -101.69 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 p -138.22 -167.75 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' ASP . 9.8 mt-10 -74.23 -73.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 69' ' ' ILE . 7.6 mt-10 -46.02 -42.23 13.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.485 ' OE1' HD13 ' A' ' 88' ' ' LEU . 6.9 mt-10 -60.56 -23.17 64.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.9 t70 -78.88 -62.47 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 10.6 ptp180 -53.88 -43.92 70.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.775 HG21 HD11 ' A' ' 87' ' ' LEU . 31.4 mt -56.52 -76.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.597 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 39.1 mt -43.13 -45.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' A' ' 68' ' ' ARG . 3.7 t80 -48.34 -36.36 14.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 1.013 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.6 pt-20 -97.33 -34.55 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.662 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -54.33 -19.29 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.915 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 7.6 t-80 -87.15 -21.73 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -99.12 11.77 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.9 t -115.09 -18.35 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.8 -61.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.721 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 146.51 -65.48 0.42 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -158.09 24.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -70.87 60.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.915 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 19.0 m95 -51.75 -36.0 45.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.91 60.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' ARG . 17.6 mm-40 -104.28 -27.13 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.966 ' CG2' HG11 ' A' ' 96' ' ' VAL . 6.1 mm -61.89 -40.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -75.01 -26.89 59.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 7.2 mttt -56.68 -40.66 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.775 HD11 HG21 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -74.62 -2.94 28.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.485 HD13 ' OE1' ' A' ' 66' ' ' GLU . 81.9 mt -117.88 161.53 33.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.97 3.28 5.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.538 1.809 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.97 -133.4 2.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.996 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 58.8 mmt-85 73.0 2.69 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.865 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 80.7 p 36.74 -158.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -27.19 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.16 -16.92 63.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.996 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -89.52 -56.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.966 HG11 ' CG2' ' A' ' 84' ' ' ILE . 61.8 t -54.81 -52.68 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -51.13 -55.81 15.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.7 t-20 -59.86 -54.18 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.026 ' CD2' HD11 ' A' ' 104' ' ' ILE . 6.2 t60 -43.62 -28.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.828 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 3.4 t-105 -61.78 -68.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.005 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.2 m-80 -70.41 -4.14 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.531 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.3 t -71.34 -78.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.87 -12.65 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.026 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.8 mt -91.62 34.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 2.5 mmmt -144.94 103.75 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -40.84 97.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.8 55.41 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.51 -49.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -155.09 80.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.775 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.6 pp -126.05 143.53 45.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.98 1.58 7.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.488 ' O ' ' O ' ' A' ' 5' ' ' LEU . 7.2 t70 -97.12 66.36 2.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.56 HD22 ' HA2' ' A' ' 39' ' ' GLY . 0.4 OUTLIER 48.76 102.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.783 HG12 ' N ' ' A' ' 7' ' ' LYS . 32.4 t -82.88 -100.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.783 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -101.1 26.88 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.583 ' H ' ' HD3' ' A' ' 9' ' ' PRO . . . 99.1 64.66 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.583 ' HD3' ' H ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.0 138.82 23.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.08 ' CE3' HD22 ' A' ' 37' ' ' LEU . 28.4 m95 -112.7 -85.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.038 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.1 p 69.76 157.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttp -32.52 -38.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.63 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 2.3 tt0 -54.66 -28.81 49.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.768 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -67.86 -44.76 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.605 ' O ' HD13 ' A' ' 19' ' ' ILE . 12.9 m-20 -70.35 -65.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.95 -24.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.963 ' C ' HD12 ' A' ' 21' ' ' LEU . 9.7 mttt -71.94 -81.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.887 HG22 ' HA ' ' A' ' 33' ' ' ILE . 49.8 t -48.76 -23.22 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.631 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -76.73 -76.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.04 -13.9 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.963 HD12 ' C ' ' A' ' 17' ' ' LYS . 20.9 mt -84.1 -78.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 33' ' ' ILE . 55.9 t -42.24 -26.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.7 mmtp -71.62 -54.2 11.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -75.83 -11.47 59.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 26' ' ' GLY . 2.8 m-85 -96.44 -59.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.24 99.69 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -178.04 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.661 ' H ' HG23 ' A' ' 27' ' ' THR . 5.6 tmtt? 166.62 41.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -104.63 73.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.811 ' HA ' HD13 ' A' ' 33' ' ' ILE . 76.0 m95 -70.17 -18.82 63.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 108.035 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -65.97 -29.27 69.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.017 HD13 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.36 -20.6 64.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.887 ' HA ' HG22 ' A' ' 18' ' ' VAL . 3.0 mp -78.03 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.619 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . . . -66.35 -32.39 73.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' THR . 5.2 ttmm -64.84 -35.41 81.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.864 ' CD2' HD22 ' A' ' 32' ' ' LEU . 5.1 m-70 -102.39 29.08 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.08 HD22 ' CE3' ' A' ' 10' ' ' TRP . 46.2 mt -153.25 133.39 13.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 81.47 164.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.56 ' HA2' HD22 ' A' ' 5' ' ' LEU . . . -49.06 -22.29 3.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.3 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.614 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 3.2 mm? -64.32 -104.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' HA3' ' HA ' ' A' ' 34' ' ' ALA . . . 103.04 23.05 8.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -38.14 -32.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.9 mt-30 -71.11 80.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 34' ' ' ALA . 60.9 m -111.76 -175.44 2.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 30' ' ' TRP . 55.5 mtt180 38.13 51.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.24 49.89 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 6.0 tpm_? -150.09 -47.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.61 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -115.64 -36.65 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.143 . . . . 0.0 108.037 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -51.22 -58.47 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -107.56 58.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -118.49 -35.8 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.596 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.68 84.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.558 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -76.55 -49.41 2.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 54' ' ' ASN . 18.3 Cg_endo -74.95 -157.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.544 1.813 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 55' ' ' PRO . 30.4 tt0 45.38 95.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.41 -22.22 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 176.7 137.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.3 OUTLIER -75.85 113.95 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 84.18 58.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 3.8 p 178.29 -151.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.611 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 60.5 m95 -64.23 173.49 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.1 p -131.28 -155.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.5 mm-40 -81.78 -82.18 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -34.6 2.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 31.7 mt-10 -64.17 -37.46 87.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t0 -66.57 -52.02 50.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -55.84 -60.52 3.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.6 mt -36.6 -49.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.447 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -52.98 -62.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 4.7 t80 -62.74 -14.99 51.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.537 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -87.71 -12.61 44.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.702 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -109.18 -33.61 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.745 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 16.3 t-80 -66.29 -14.55 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 14.95 29.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.7 t -121.16 -40.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -114.78 -73.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.745 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 157.99 -122.81 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.17 23.84 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 57.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.685 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.7 m95 -52.67 -36.3 56.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 107.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.38 -22.47 61.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.461 ' O ' HD13 ' A' ' 87' ' ' LEU . 25.1 mm-40 -102.59 -30.54 10.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.839 HG21 HG11 ' A' ' 96' ' ' VAL . 4.6 mm -59.61 -48.78 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -64.15 -34.06 77.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 4.5 mmtp -56.66 -37.99 71.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 83' ' ' GLU . 9.2 mp -74.51 -14.53 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.423 ' CD2' HG21 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -94.99 166.19 15.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 2.83 6.21 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.23 104.95 1.16 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.878 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 1.2 mmt180 -154.17 22.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 0.768 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.801 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 6.4 p 45.69 -174.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -98.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.34 -30.21 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.878 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -67.7 -64.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.839 HG11 HG21 ' A' ' 84' ' ' ILE . 89.1 t -53.39 -54.69 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.65 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -43.35 -64.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 100' ' ' TRP . 4.9 t-20 -56.92 -51.67 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.991 ' CD2' HD11 ' A' ' 104' ' ' ILE . 6.0 t60 -44.82 -26.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.585 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.882 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.6 t-105 -63.81 -69.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.448 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.9 m-80 -67.82 -4.85 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 66.9 m -71.3 -79.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -122.39 -13.58 8.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.991 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.9 mt -92.05 35.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.627 ' O ' HG22 ' A' ' 108' ' ' VAL . 5.0 mmtt -150.02 72.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.601 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -64.85 -58.66 5.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 84.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 105' ' ' LYS . 0.2 OUTLIER -98.35 -50.25 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.46 32.93 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 110' ' ' THR . 4.0 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.385 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.948 ' O ' HD12 ' A' ' 2' ' ' ILE . 1.8 pp -119.99 139.58 28.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 2' ' ' ILE . 18.3 Cg_endo -75.03 5.0 4.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.521 ' O ' ' O ' ' A' ' 5' ' ' LEU . 3.0 t70 -104.73 72.87 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.82 HD22 ' HA3' ' A' ' 39' ' ' GLY . 0.2 OUTLIER 44.37 100.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.823 ' HA ' HD11 ' A' ' 2' ' ' ILE . 98.6 t -69.74 -105.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.591 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -84.01 35.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.686 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 79.67 47.85 7.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.77 ' C ' HG23 ' A' ' 11' ' ' THR . 11.8 m95 -115.93 -62.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.2 p 70.11 -166.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -73.22 -18.59 61.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.64 -62.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.866 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -52.46 -22.09 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.618 ' O ' HD13 ' A' ' 19' ' ' ILE . 14.2 m-20 -89.95 -22.7 21.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -81.57 -26.51 34.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -82.43 -54.44 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.793 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.2 t -57.09 -29.98 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.63 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.5 OUTLIER -72.82 -66.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HA ' ' CG ' ' A' ' 23' ' ' LYS . 3.0 tt0 -51.84 -20.17 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.626 HD13 HD13 ' A' ' 32' ' ' LEU . 10.4 mt -86.88 -50.75 6.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.831 ' CG1' HG23 ' A' ' 27' ' ' THR . 2.4 t -56.1 -38.85 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -73.19 -38.24 66.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -72.73 -21.8 60.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.881 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -94.61 -50.54 5.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' C ' ' OG1' ' A' ' 27' ' ' THR . . . 126.42 1.27 7.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.831 HG23 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 75.28 53.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 0.77 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -128.58 -62.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.56 78.27 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CE3' HD13 ' A' ' 33' ' ' ILE . 54.3 m95 -63.36 -14.64 52.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.029 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.15 70.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.881 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -50.63 -49.08 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.793 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.1 mp -52.32 -38.67 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.82 ' HB2' ' O ' ' A' ' 42' ' ' GLY . . . -97.47 12.76 32.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -114.68 -40.85 3.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.763 ' O ' HD23 ' A' ' 37' ' ' LEU . 8.4 m-70 -83.47 -16.43 45.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.866 HD22 ' HG3' ' A' ' 14' ' ' GLU . 5.9 mt -125.78 69.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -86.29 44.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.82 ' HA3' HD22 ' A' ' 5' ' ' LEU . . . -84.42 -32.24 22.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.7 ttt180 -170.83 78.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.554 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.29 97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.82 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -82.27 41.5 2.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -67.95 -23.42 65.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.05 77.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' LYS . 23.3 p -79.76 167.05 21.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' CYS . 75.4 mtm180 36.22 90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 33.5 tt0 -162.77 133.62 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 7.9 mmt85 66.2 19.39 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.63 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 1.2 t90 -140.27 -48.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.007 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER -98.46 -88.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.664 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -34.59 -38.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' HIS . 12.1 t-80 -43.01 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.583 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.414 ' CB ' ' O ' ' A' ' 52' ' ' HIS . 0.9 OUTLIER 170.41 -82.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 47.33 65.05 7.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -157.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.21 55.84 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 57' ' ' VAL . 3.7 t -102.14 0.51 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.61 -175.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 124.31 27.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 61' ' ' SER . 3.9 p 178.0 -104.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 60' ' ' SER . 8.5 t 165.09 38.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.607 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 76.9 m95 -103.87 -170.22 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 108.04 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -137.99 -159.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ASP . 21.3 mt-10 -79.65 -77.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.81 -33.17 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.8 -34.85 78.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.5 t70 -69.87 -55.39 9.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ILE . 8.0 mtp180 -59.17 -61.77 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 72' ' ' GLU . 74.6 mt -39.77 -73.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 96' ' ' VAL . 35.8 mt -45.8 -53.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 3.7 t80 -54.4 -14.62 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -104.75 -43.95 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.575 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -49.97 -40.77 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.786 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 4.4 t-80 -61.77 -13.22 21.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.553 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -103.96 15.64 28.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.485 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -120.64 -39.41 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.786 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.92 -125.94 1.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.09 24.09 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 56.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.754 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.4 m95 -52.15 -36.45 51.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.82 -27.35 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.65 -34.83 10.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.008 HG21 HG11 ' A' ' 96' ' ' VAL . 5.2 mm -54.0 -52.17 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.651 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -62.84 -48.88 77.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -48.99 -27.59 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -36.21 51.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ALA . 20.4 mt -114.24 108.67 49.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 118.26 5.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.465 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . 144.56 -35.06 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.651 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 68.3 mmt-85 -120.08 157.02 29.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 0.744 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 20.1 p -103.84 -172.29 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -65.35 -65.42 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.79 -29.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -69.5 -64.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.008 HG11 HG21 ' A' ' 84' ' ' ILE . 55.5 t -56.99 -56.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.61 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.1 ttpp -39.61 -58.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.6 t-20 -60.56 -39.81 89.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.607 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 2.2 t60 -55.15 -17.8 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.699 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -73.08 -49.44 28.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.428 ' HA ' ' HG2' ' A' ' 105' ' ' LYS . 58.8 m-80 -87.92 -5.6 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.516 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 48.7 m -71.7 -79.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -129.96 -10.64 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.699 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 2.2 mm -90.51 31.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER -124.66 39.99 3.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -61.8 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -70.82 98.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 107' ' ' LYS . 1.0 OUTLIER -160.25 -54.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -153.81 80.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.492 ' O ' ' CG2' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 1.161 ' CD1' HG22 ' A' ' 6' ' ' VAL . 2.2 pp -155.75 170.81 8.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.94 ' O ' HD12 ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.05 -153.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -75.96 145.04 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.758 HD23 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER 56.86 104.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 1.161 HG22 ' CD1' ' A' ' 2' ' ' ILE . 7.5 t -86.67 93.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.83 19.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 6' ' ' VAL . . . 95.01 83.97 1.64 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.758 ' HD2' HD23 ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.99 111.22 3.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.768 ' CH2' HD12 ' A' ' 37' ' ' LEU . 9.7 m0 -113.55 165.78 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.485 HG23 ' C ' ' A' ' 10' ' ' TRP . 71.3 p -154.71 172.94 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.8 tttt -39.81 -32.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -62.35 -51.05 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.858 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -54.1 -19.6 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.672 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -92.47 -28.55 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 4.6 pt20 -78.57 -30.15 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.17 -54.27 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.788 HG22 HG13 ' A' ' 33' ' ' ILE . 2.6 t -58.12 -24.37 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.693 HG22 ' N ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -71.91 -75.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.693 ' N ' HG22 ' A' ' 19' ' ' ILE . 5.7 pt-20 -49.65 -22.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.716 ' HB3' HD13 ' A' ' 32' ' ' LEU . 33.0 mt -78.03 -61.7 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.76 ' CG2' HD11 ' A' ' 33' ' ' ILE . 2.6 t -56.16 -18.73 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -77.72 -51.28 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -19.22 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.902 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -93.71 -53.71 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.95 ' O ' HG23 ' A' ' 27' ' ' THR . . . 142.24 -99.9 0.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.95 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -178.37 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 0.807 . . . . 0.0 110.355 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.26 19.02 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 31' ' ' THR . 33.8 mt-30 -125.17 60.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.796 ' HA ' HD13 ' A' ' 33' ' ' ILE . 12.1 m95 -54.99 -19.65 7.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.041 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -56.49 -47.54 79.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.902 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -54.38 -19.59 5.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.796 HD13 ' HA ' ' A' ' 30' ' ' TRP . 4.6 mp -90.14 -43.64 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.584 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -94.73 19.96 9.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 31' ' ' THR . 3.5 ttmm -122.06 -40.07 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.738 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 4.9 m-70 -82.93 -8.53 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.858 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -136.65 95.41 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.357 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.73 77.56 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' HD22 ' A' ' 5' ' ' LEU . . . -152.54 -39.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' HB2' ' NE1' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -127.81 -170.48 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.7 -173.5 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.584 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -148.69 84.65 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' N ' ' CZ3' ' A' ' 30' ' ' TRP . 7.2 tmtt? -169.3 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -96.46 85.45 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -163.52 -89.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.694 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -81.85 81.61 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.76 -49.94 7.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.3 44.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 10.9 t90 -155.92 -47.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.607 ' CE1' ' C ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.584 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.454 HD22 ' N ' ' A' ' 51' ' ' ASN . 1.3 m-80 -113.35 48.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.4 m170 -124.17 -85.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.642 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mt 56.06 -91.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' HIS . 7.1 t-20 59.87 67.14 1.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -157.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.46 114.46 14.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.759 HG11 ' HB2' ' A' ' 62' ' ' TRP . 2.4 t -90.77 19.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.36 153.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 61' ' ' SER . 3.5 mptt -66.01 -71.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.412 ' C ' ' OG ' ' A' ' 61' ' ' SER . 0.5 OUTLIER -67.81 67.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -178.99 -161.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.999 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.759 ' HB2' HG11 ' A' ' 57' ' ' VAL . 43.2 m95 -63.67 177.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 p -141.93 -155.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.2 mt-10 -81.25 -83.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -25.77 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.478 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 6.7 mt-10 -72.11 -44.73 62.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' GLU . 7.8 t0 -60.37 -50.59 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ILE . 22.0 mmm180 -54.38 -65.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' ARG . 68.8 mt -36.66 -43.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -61.68 -70.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -45.47 -26.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.983 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 mt-10 -78.81 -73.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.41 -25.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.763 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.1 t-80 -67.05 -46.2 75.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.565 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.9 pttt -82.41 6.04 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.4 t -114.87 -13.93 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD12 ' CD1' ' A' ' 84' ' ' ILE . 1.6 mt -127.85 -48.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.5 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 97.12 95.07 1.89 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.514 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 44.02 22.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -76.24 49.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.763 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 8.9 m95 -45.61 -34.38 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 108.024 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.88 -23.66 19.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 80' ' ' ARG . 14.3 mm-40 -115.76 -45.99 2.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.803 HG21 HG11 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -42.62 -33.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.832 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -79.5 -44.04 22.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' GLU . 12.0 mtpt -50.92 -24.21 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -35.82 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.451 HD11 HG22 ' A' ' 69' ' ' ILE . 6.3 mp -107.42 114.96 60.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.58 5.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.89 1.93 23.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.832 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 14.4 mmt180 -132.83 125.67 30.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.2 p -88.29 -174.48 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 97' ' ' LYS . 12.8 p-10 -72.56 -31.12 65.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -17.06 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -61.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.803 HG11 HG21 ' A' ' 84' ' ' ILE . 42.4 t -65.21 -59.78 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.597 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 12.0 ttpp -34.52 -43.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' C ' ' N ' ' A' ' 100' ' ' TRP . 8.2 t-20 -73.55 -58.15 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.034 ' CD2' HD11 ' A' ' 104' ' ' ILE . 6.0 t60 -44.84 -27.2 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.783 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 4.0 t-105 -63.34 -68.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.2 m-80 -69.75 -3.55 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 71.1 m -72.17 -81.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -121.69 -13.05 8.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.034 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.5 mt -91.81 34.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.1 mmmt -150.13 117.72 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -69.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 3.1 tttt -69.56 77.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.2 t -152.1 -47.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -152.95 77.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.486 ' C ' ' CG1' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.486 ' CG1' ' C ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -174.31 171.24 1.5 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.77 . . . . 0.0 109.258 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.526 ' O ' HG23 ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.99 -168.96 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.769 . . . . 0.0 111.057 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.8 ' O ' HD12 ' A' ' 5' ' ' LEU . 13.4 t0 -64.93 178.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.8 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 84.84 15.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.562 HG12 ' H ' ' A' ' 7' ' ' LYS . 3.7 t -95.77 -133.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 39.44 29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 117.94 79.55 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.93 18.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.666 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.1 m0 -85.07 157.53 20.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 14' ' ' GLU . 31.7 p -147.66 -164.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER -39.27 -54.59 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.534 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -44.76 -40.57 6.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.93 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.5 -48.03 80.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.505 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -61.19 -43.82 98.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -55.49 -21.61 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -70.83 -58.78 3.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.838 HG13 HG13 ' A' ' 33' ' ' ILE . 41.8 t -44.59 -32.96 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.63 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER -71.12 -51.7 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -25.53 67.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -74.44 -63.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.819 HG22 HD11 ' A' ' 33' ' ' ILE . 77.3 t -47.85 -21.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -75.62 -47.13 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.4 -3.54 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 3.2 m-85 -108.53 -53.55 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.93 ' O ' HG23 ' A' ' 27' ' ' THR . . . 117.11 -92.63 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.93 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -179.89 36.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.791 . . . . 0.0 110.426 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -34.72 8.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 32' ' ' LEU . 22.9 mt-30 -109.61 70.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.414 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 58.3 m95 -62.9 -11.6 19.47 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.575 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -68.18 -43.52 77.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.928 HD22 ' C ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -52.27 -25.62 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.838 HG13 HG13 ' A' ' 18' ' ' VAL . 1.9 mp -75.21 -42.81 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.46 16.82 24.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -116.37 -24.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.761 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 9.0 m170 -89.73 -49.35 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.93 HD22 ' HG3' ' A' ' 14' ' ' GLU . 3.4 mt -83.96 80.76 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -74.5 -165.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.63 -51.86 3.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.6 -175.88 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.776 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.18 177.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.37 -122.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.67 72.23 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 65.28 100.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.334 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.0 p -79.91 121.44 25.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 63.29 88.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -171.17 44.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.42 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.48 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.57 -31.57 8.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.032 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.85 -42.27 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -111.62 90.69 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.2 -63.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.623 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.9 93.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 4.8 t-20 -168.62 64.91 0.62 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 18.2 Cg_endo -75.0 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.05 -171.56 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.45 HG23 ' HG2' ' A' ' 64' ' ' GLU . 2.1 t -65.93 -43.2 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 59' ' ' LYS . 17.8 ttpt -179.16 76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 35.44 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.6 ' O ' ' CB ' ' A' ' 61' ' ' SER . 59.6 p -44.06 169.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.6 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.5 m 94.15 -147.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.706 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 45.1 m95 -61.02 172.29 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.0 p -134.5 -156.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.4 mm-40 -78.37 -81.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.05 -37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 20.7 mt-10 -61.98 -41.03 97.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.4 t70 -59.37 -54.79 42.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.2 mmp_? -54.92 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 68' ' ' ARG . 84.6 mt -33.78 -50.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.358 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 84' ' ' ILE . 1.0 OUTLIER -54.31 -65.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 71' ' ' PHE . 1.9 t80 -61.08 -13.16 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.528 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -94.18 -12.95 27.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.62 ' CB ' HD13 ' A' ' 84' ' ' ILE . . . -111.83 -18.06 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.864 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 30.1 t-80 -76.0 -24.4 55.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 11.7 33.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -112.33 -24.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -122.15 -60.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.646 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.3 -54.92 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER -161.34 24.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.434 ' CG ' ' HG3' ' A' ' 83' ' ' GLU . 3.2 mpt_? -71.87 61.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.864 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 15.6 m95 -55.17 -37.13 66.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.12 -16.51 13.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 3.6 mt-10 -109.83 -40.59 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.841 HG21 HG11 ' A' ' 96' ' ' VAL . 5.7 mm -47.24 -40.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -65.56 -38.11 88.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 38.0 mttt -50.53 -21.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.66 -31.0 18.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.4 mm? -93.65 159.54 34.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 83.11 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.9 98.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.575 ' HD2' ' CH2' ' A' ' 62' ' ' TRP . 30.2 mmt180 -146.2 16.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' ARG . 22.4 p 36.65 -105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.95 -46.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.75 -14.99 24.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -74.94 -67.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 84' ' ' ILE . 92.9 t -56.39 -58.96 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.8 ttpp -38.44 -59.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.64 -40.13 86.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.82 ' NE2' HD11 ' A' ' 104' ' ' ILE . 3.4 t60 -59.48 -25.16 64.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.983 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.6 t-105 -66.81 -47.93 70.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 108.031 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.447 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 58.9 m-80 -87.83 1.19 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.529 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 47.7 m -76.7 -77.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.21 -8.65 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.983 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 9.1 mt -98.14 39.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.536 ' C ' ' HD3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -129.45 47.79 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -79.01 -60.84 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -64.71 79.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 106' ' ' ARG . 2.1 t -150.29 -48.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.58 38.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.392 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.494 ' C ' ' CG1' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.54 HD13 HG21 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -174.81 145.92 0.96 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 2' ' ' ILE . 18.3 Cg_endo -75.01 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.54 ' O ' ' O ' ' A' ' 5' ' ' LEU . 46.2 t0 -70.61 136.84 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.655 HD13 ' C ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER 41.99 99.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.808 HG12 ' N ' ' A' ' 7' ' ' LYS . 24.2 t -71.52 -99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.808 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.0 34.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.0 49.33 7.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.656 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -75.05 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.678 ' CZ3' HD13 ' A' ' 37' ' ' LEU . 10.6 m0 -113.17 164.97 12.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 6.4 p -153.03 170.85 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 3.5 tttt -42.56 -32.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.649 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -59.92 -44.87 94.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.602 ' HB3' HD22 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -56.57 -40.21 74.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.459 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.2 m-20 -73.86 -68.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.649 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.47 -24.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.511 ' C ' HD12 ' A' ' 21' ' ' LEU . 16.2 mttt -70.35 -80.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.101 HG21 HD11 ' A' ' 37' ' ' LEU . 39.2 t -41.88 -26.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.674 HG22 ' N ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -72.53 -82.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.674 ' N ' HG22 ' A' ' 19' ' ' ILE . 4.0 mt-10 -52.64 -18.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.964 HD13 HD13 ' A' ' 32' ' ' LEU . 77.9 mt -76.52 -65.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 26' ' ' GLY . 2.1 t -49.57 -24.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -34.64 50.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 21' ' ' LEU . 4.1 ttpt -93.85 -5.38 48.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.993 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.0 m-85 -111.43 -52.3 2.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 27' ' ' THR . . . 120.78 -106.68 1.17 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.14 54.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.392 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.27 -40.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.574 ' OE1' ' CD2' ' A' ' 25' ' ' TYR . 4.8 mt-30 -74.83 -66.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 46' ' ' ARG . 37.5 m95 68.64 -0.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -76.3 -39.06 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.993 HD23 ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -52.46 -46.97 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.754 ' HA ' HG22 ' A' ' 18' ' ' VAL . 4.6 mp -54.46 -38.09 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.497 ' CB ' ' HA3' ' A' ' 42' ' ' GLY . . . -94.68 10.48 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -117.91 -42.23 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.821 ' O ' HD23 ' A' ' 37' ' ' LEU . 7.7 m-70 -84.22 1.86 42.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.554 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.101 HD11 HG21 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -141.05 142.75 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.655 ' C ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 79.8 139.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -41.14 -26.48 0.18 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -170.03 -52.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 110.256 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 3.3 mm? -63.89 -169.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.497 ' HA3' ' CB ' ' A' ' 34' ' ' ALA . . . -172.67 30.94 0.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -39.89 -29.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.8 tt0 -82.89 56.45 3.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -89.55 164.08 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.57 ' HG2' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 36.32 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.64 54.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.616 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -154.5 -44.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -121.53 -8.0 9.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -80.77 -54.48 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.564 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.586 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 1.3 m-80 -108.02 78.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 19.0 m-70 -149.86 -59.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.93 -76.44 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 41.44 71.97 1.19 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -157.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.637 ' OE1' HG22 ' A' ' 63' ' ' THR . 1.3 tt0 -139.44 -171.44 3.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.2 t -78.88 -5.41 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 3.9 mttt 165.91 165.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -6.51 44.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 p -161.8 73.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 62' ' ' TRP . 2.1 p 179.09 -150.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.581 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 71.8 m95 -62.8 175.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.637 HG22 ' OE1' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -130.77 -166.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.4 mt-10 -75.13 -79.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.43 -33.21 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.8 mt-10 -66.64 -40.98 88.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' GLU . 10.5 t0 -60.34 -53.16 60.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ILE . 28.1 mmm-85 -54.87 -61.73 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' ARG . 68.6 mt -37.67 -43.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -63.36 -68.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -49.47 -20.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.705 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -82.05 -69.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.673 ' HB3' HD13 ' A' ' 84' ' ' ILE . . . -48.39 -37.85 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 32.0 t-80 -59.12 -29.37 67.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.571 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' GLU . 7.5 pttt -93.62 11.03 30.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 72' ' ' GLU . 12.5 t -117.9 -20.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.593 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -123.77 -63.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.609 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 141.8 -57.62 0.57 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.78 23.91 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -71.85 59.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.2 m95 -52.91 -36.21 59.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.16 -20.85 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.593 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -105.26 -30.12 9.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.009 HG21 HG11 ' A' ' 96' ' ' VAL . 8.2 mm -54.35 -49.1 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.85 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -62.78 -35.65 80.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.18 -18.85 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.994 ' O ' HD23 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -93.23 16.69 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -138.11 179.34 1.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 126.49 112.91 1.83 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.898 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -153.12 21.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.322 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.85 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 25.0 p 43.3 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.11 -46.67 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.8 OUTLIER -50.83 -32.64 20.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -66.59 -64.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.009 HG11 HG21 ' A' ' 84' ' ' ILE . 73.9 t -54.95 -62.84 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.3 ttpp -38.24 -58.08 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 94' ' ' ASN . 18.5 t-20 -58.15 -54.56 45.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.044 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.6 t60 -44.9 -26.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.825 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.6 t-105 -64.23 -68.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 107.96 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.46 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.4 m-80 -69.23 -3.43 13.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.4 m -72.4 -80.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -123.09 -13.37 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.044 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -90.29 30.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.4 OUTLIER -148.1 118.49 7.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -79.61 -65.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.78 67.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -149.84 -52.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.443 ' N ' HG12 ' A' ' 108' ' ' VAL . 17.4 t70 -154.22 73.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 179.984 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 1.051 HD11 HG22 ' A' ' 6' ' ' VAL . 1.4 pp -151.1 120.85 3.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.38 7.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.569 ' N ' HD12 ' A' ' 2' ' ' ILE . 0.8 OUTLIER -82.85 -170.38 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.65 132.35 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 1.051 HG22 HD11 ' A' ' 2' ' ' ILE . 4.9 t -132.03 -43.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 6.69 10.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 179.26 61.31 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.01 165.47 31.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.225 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.9 m0 -53.5 150.13 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' LYS . 43.9 p -133.7 -166.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -37.37 -60.29 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -41.08 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.617 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 1.0 OUTLIER -51.33 -37.76 49.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 14.6 m-20 -64.06 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -60.74 -31.51 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 27.9 tttt -68.58 -46.16 70.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.963 HG13 HG13 ' A' ' 33' ' ' ILE . 2.1 t -49.1 -53.62 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.629 HD12 HG12 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -55.26 -33.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -20.33 63.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.761 HD13 HD13 ' A' ' 32' ' ' LEU . 1.3 mt -83.72 -63.56 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.797 ' CG2' HD11 ' A' ' 33' ' ' ILE . 3.9 t -48.75 -24.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 -63.5 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -12.71 47.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.856 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.3 m-30 -94.72 -56.16 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.727 ' C ' HG22 ' A' ' 27' ' ' THR . . . 51.19 102.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.727 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.6 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.383 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' H ' HG23 ' A' ' 27' ' ' THR . 2.9 ttmt -179.82 -81.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 33' ' ' ILE . 3.1 mt-30 40.39 42.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.734 ' HA ' HD13 ' A' ' 33' ' ' ILE . 28.6 m95 -64.64 -13.24 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -78.97 -42.42 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.856 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -54.04 -53.85 47.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.963 HG13 HG13 ' A' ' 18' ' ' VAL . 4.4 mp -38.79 -72.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 42' ' ' GLY . . . -60.18 -57.91 10.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -42.42 -27.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.714 ' C ' HD23 ' A' ' 37' ' ' LEU . 8.8 m-70 -86.37 -52.94 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.225 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -102.22 98.72 8.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -106.29 -168.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.87 ' HA2' HD13 ' A' ' 2' ' ' ILE . . . 74.0 26.26 69.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER 170.92 39.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.271 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.502 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 32.7 93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.694 ' O ' ' HB2' ' A' ' 34' ' ' ALA . . . -68.72 55.73 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -125.5 -138.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' LYS . 6.6 tm0? 34.42 35.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -113.05 -36.21 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -34.08 -40.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.2 60.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.73 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.613 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -104.94 -15.43 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.03 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -107.15 -31.04 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 109.57 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.622 HD22 ' N ' ' A' ' 51' ' ' ASN . 1.2 m-80 -109.53 62.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -141.63 -82.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.603 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.51 98.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' HIS . 4.5 t-20 173.85 104.08 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -157.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -151.47 162.76 40.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 62' ' ' TRP . 25.6 t -81.41 4.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -167.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 71.07 47.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 84.15 154.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.8 OUTLIER 80.91 -157.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.65 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 52.2 m95 -63.39 172.39 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 66' ' ' GLU . 78.0 p -132.97 -158.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.7 mm-40 -77.76 -79.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -40.62 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 1.3 mm-40 -60.55 -37.63 81.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.2 t70 -62.29 -50.92 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.8 mmp_? -60.76 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.027 HG21 HD11 ' A' ' 88' ' ' LEU . 81.2 mt -36.77 -50.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.725 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -55.07 -65.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -47.67 -31.48 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.958 ' O ' HG23 ' A' ' 76' ' ' VAL . 7.6 mt-10 -70.03 -63.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.984 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -53.27 -27.31 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.723 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 14.1 t-80 -77.02 -23.38 52.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -97.37 12.02 34.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.0 t -118.72 -33.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -121.42 -76.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.723 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 158.45 -123.77 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.137 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 21.92 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.591 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -71.02 56.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.662 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 14.8 m95 -50.94 -33.97 26.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 107.997 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.87 -31.06 71.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 87' ' ' LEU . 4.2 mm-40 -106.57 -9.65 16.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.758 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -82.09 -42.17 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -79.41 -32.68 42.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -70.66 -6.98 41.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.673 HD13 ' HB1' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -75.08 -9.86 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.027 HD11 HG21 ' A' ' 69' ' ' ILE . 11.5 mt -144.55 151.01 49.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 84.15 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . 141.8 152.44 5.72 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.65 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 1.7 mpp_? 75.2 137.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 p -99.71 -168.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.359 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.82 -48.94 22.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -14.89 24.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB1' ' HG3' ' A' ' 91' ' ' ARG . . . -77.74 -65.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.758 HG11 ' CG2' ' A' ' 84' ' ' ILE . 57.6 t -60.55 -50.2 81.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.634 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 10.4 ttpp -40.85 -61.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' SER . 5.3 t-20 -58.3 -53.32 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.007 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.9 t60 -44.58 -27.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 3.1 t-105 -63.17 -69.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.473 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.7 m-80 -68.93 -4.08 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 69.3 m -72.03 -81.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -120.96 -13.8 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.007 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.6 mt -91.69 34.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 0.3 OUTLIER -150.85 81.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -41.86 97.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -83.57 71.77 10.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' ASP . 1.0 OUTLIER -155.69 -47.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' VAL . 10.1 t70 38.26 66.37 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 -179.995 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.866 HD13 ' O ' ' A' ' 4' ' ' ASP . 0.8 OUTLIER -110.44 146.34 34.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 2.38 6.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.866 ' O ' HD13 ' A' ' 2' ' ' ILE . 18.0 t0 -129.89 158.32 39.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 71.3 11.89 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 7' ' ' LYS . 6.5 t -113.76 -133.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.678 ' H ' HG12 ' A' ' 6' ' ' VAL . 3.8 mmmt 37.79 30.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 126.59 79.08 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.59 ' HE3' HD23 ' A' ' 37' ' ' LEU . 10.0 m95 -72.1 133.02 44.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 54.4 p -120.54 -163.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -61.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -44.07 -41.17 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 10' ' ' TRP . 2.0 mp0 -67.16 -43.84 81.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -61.51 -60.21 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -45.47 -25.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.759 ' HD3' HD11 ' A' ' 21' ' ' LEU . 1.2 tttm -64.15 -56.68 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.937 HG13 HG13 ' A' ' 33' ' ' ILE . 2.6 t -43.72 -53.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.782 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -56.7 -33.46 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LYS . 2.2 tt0 -82.82 -16.18 48.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.759 HD11 ' HD3' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -83.48 -45.84 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 18' ' ' VAL . 2.5 t -67.31 -33.83 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -36.14 71.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.69 -26.71 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.704 ' CE2' ' CD2' ' A' ' 32' ' ' LEU . 4.2 m-30 -84.69 -55.14 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.716 ' C ' HG22 ' A' ' 27' ' ' THR . . . 56.7 98.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.716 HG22 ' C ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER 162.96 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.436 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.536 ' H ' HG23 ' A' ' 27' ' ' THR . 0.2 OUTLIER 177.12 -80.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 33' ' ' ILE . 5.8 mt-30 40.28 49.04 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.649 ' HA ' HD13 ' A' ' 33' ' ' ILE . 24.6 m95 -68.88 -8.74 46.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.021 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.04 -37.92 45.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.78 -55.71 21.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.937 HG13 HG13 ' A' ' 18' ' ' VAL . 4.4 mp -39.34 -60.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' C ' ' N ' ' A' ' 36' ' ' HIS . . . -63.46 -64.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -25.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.613 ' N ' ' O ' ' A' ' 32' ' ' LEU . 11.6 m-70 -87.32 -56.86 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.621 ' CD1' HG21 ' A' ' 18' ' ' VAL . 3.9 mt -107.99 121.67 45.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 81.74 118.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.26 -16.27 26.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -98.68 -160.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 3.3 mm? -64.93 -12.98 55.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.63 -122.08 3.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.435 1.085 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -167.17 46.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 83.39 47.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.339 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.567 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -58.27 179.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.934 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 73.59 -58.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.62 77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.6 OUTLIER 178.13 -53.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.782 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -125.5 0.81 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.035 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' A' ' 46' ' ' ARG . 45.7 t-80 -102.0 -76.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.648 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.433 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -104.92 41.65 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -109.28 -72.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 66.77 143.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -43.12 156.44 0.26 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -157.12 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.28 -167.78 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.664 HG12 ' OG ' ' A' ' 61' ' ' SER . 2.4 t -94.74 29.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 4.8 pttt 36.62 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.13 -175.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.9 p -44.14 -90.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.664 ' OG ' HG12 ' A' ' 57' ' ' VAL . 53.8 p 38.91 -153.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.561 ' CZ3' ' HG3' ' A' ' 91' ' ' ARG . 69.0 m95 -61.86 175.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 108.044 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.558 ' CA ' HG21 ' A' ' 57' ' ' VAL . 11.0 p -121.37 -157.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' ASP . 6.2 mm-40 -81.52 -80.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.84 -32.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.618 ' OE1' HD22 ' A' ' 88' ' ' LEU . 2.5 mt-10 -66.27 -39.48 89.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -67.99 -48.72 64.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 9.0 mtp180 -58.31 -62.03 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 73' ' ' ALA . 77.6 mt -37.62 -69.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.946 HD13 HG13 ' A' ' 96' ' ' VAL . 38.9 mt -48.42 -49.55 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -61.27 -14.79 29.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mm-40 -125.63 19.18 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.755 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -116.76 -26.79 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.92 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 12.3 t-80 -78.32 -19.74 52.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 18.01 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 3.3 t -126.82 -40.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -109.79 -76.8 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.715 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 165.8 -139.93 6.07 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -96.0 17.24 15.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 0.789 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HD3' ' CB ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.63 55.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.92 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 12.7 m95 -46.71 -34.34 5.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.032 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.83 -16.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 81' ' ' TRP . 27.7 mm-40 -109.53 -44.22 3.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.045 HG21 HG11 ' A' ' 96' ' ' VAL . 3.4 mm -44.26 -45.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' LEU . . . -68.31 -44.92 74.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -45.98 -31.91 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.59 -39.35 52.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 84' ' ' ILE . 1.5 mp -108.14 102.01 44.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.41 7.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.48 -27.49 2.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.712 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 31.1 mmt180 -119.43 154.81 33.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 0.761 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.408 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 24.1 p -95.56 -170.22 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.443 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -73.68 -47.6 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -14.08 38.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.712 ' HB1' ' HD2' ' A' ' 91' ' ' ARG . . . -77.78 -68.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.045 HG11 HG21 ' A' ' 84' ' ' ILE . 58.2 t -55.36 -50.51 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.7 ttpp -42.33 -70.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.19 -50.58 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.588 ' HA ' ' CB ' ' A' ' 102' ' ' SER . 23.7 t60 -44.54 -29.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 1.187 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.4 t-105 -59.23 -65.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 108.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.478 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 67.9 m-80 -73.34 -3.78 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.588 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 12.6 t -73.69 -76.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -116.87 -12.91 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.187 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 4.0 mm -89.57 28.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 1.7 mmtm -152.55 81.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.591 ' H ' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -64.08 -66.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.406 ' CE ' ' HA ' ' A' ' 110' ' ' THR . 0.4 OUTLIER -77.51 104.32 7.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 105' ' ' LYS . 2.0 t -128.75 -49.4 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.78 16.37 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.406 ' HA ' ' CE ' ' A' ' 107' ' ' LYS . 59.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.816 HG23 ' O ' ' A' ' 2' ' ' ILE . 4.1 tp 33.59 59.53 1.79 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.02 -161.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.538 ' O ' HD12 ' A' ' 5' ' ' LEU . 33.8 t70 -69.96 149.02 48.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 70.14 7.13 6.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.645 HG12 HD12 ' A' ' 2' ' ' ILE . 24.6 t -118.85 -25.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -79.49 15.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . -178.19 64.45 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 37' ' ' LEU . 10.4 m95 -65.17 158.5 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.4 p -152.86 165.41 35.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 5.1 ttmt -37.54 -35.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.642 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -53.92 -46.92 71.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.703 ' HB2' HD13 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -54.79 -42.84 72.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' O ' HD13 ' A' ' 19' ' ' ILE . 2.5 m-20 -75.19 -72.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.642 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -35.74 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' ASP . 6.2 ttmt -74.35 -73.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.939 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.7 t -42.29 -35.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -65.93 -48.15 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 17' ' ' LYS . 3.5 tt0 -64.97 -25.32 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD13 ' CD2' ' A' ' 32' ' ' LEU . 1.1 mt -76.89 -56.2 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 18' ' ' VAL . 16.7 t -55.82 -19.82 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -46.06 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -14.18 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.597 ' O ' ' C ' ' A' ' 26' ' ' GLY . 3.3 m-85 -97.82 -56.87 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 19.68 94.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -165.86 -55.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.423 179.942 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 27' ' ' THR . 1.4 mttt 166.26 -10.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.482 ' H ' HG23 ' A' ' 27' ' ' THR . 30.9 mt-30 -69.38 82.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.674 ' HA ' HD13 ' A' ' 33' ' ' ILE . 25.2 m95 -89.46 2.21 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 108.024 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -74.33 -46.49 40.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -52.15 -23.97 6.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.903 HG13 HG13 ' A' ' 18' ' ' VAL . 2.5 mp -73.41 -46.24 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.61 21.31 11.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 31' ' ' THR . 20.8 ttpt -118.66 -33.6 4.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.708 ' O ' HD23 ' A' ' 37' ' ' LEU . 7.2 m170 -84.08 -3.98 58.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -147.8 115.79 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 143.87 44.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.72 -15.06 4.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.68 179.8 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.86 179.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.85 -112.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -172.18 80.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER 40.49 92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.343 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.469 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 14.9 p -80.35 160.13 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 36.58 79.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -177.03 42.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.497 ' NH2' ' NE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -174.32 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.52 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -113.57 -20.16 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.026 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -90.0 -43.11 10.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -110.59 93.03 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.497 ' NE2' ' NH2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -172.53 -53.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.59 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.76 96.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' HIS . 42.6 t30 -131.69 74.51 77.72 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -157.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.02 -170.45 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.2 t -67.56 -27.02 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER 170.07 153.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -33.72 76.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.4 p -121.52 -149.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.83 -150.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.613 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 46.9 m95 -62.82 173.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.032 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.8 p -135.31 -161.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.5 mm-40 -74.75 -77.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.44 -42.1 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 3.2 mt-10 -60.8 -34.14 74.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' GLU . 2.8 t70 -63.06 -56.34 17.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 69' ' ' ILE . 6.2 mtp85 -56.88 -58.08 9.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.469 HG21 HD21 ' A' ' 88' ' ' LEU . 93.7 mt -38.64 -53.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.622 HD12 HG13 ' A' ' 96' ' ' VAL . 1.2 mm -53.81 -70.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.9 t80 -46.51 -23.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -76.79 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.989 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -57.79 -26.45 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.708 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 10.2 t-80 -77.14 -16.92 58.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.18 12.8 36.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.1 t -121.9 -40.14 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.989 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -113.3 -76.32 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.708 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 156.16 -120.07 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.167 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.46 21.2 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -71.03 57.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.7 m95 -51.88 -33.53 37.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 108.012 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.423 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -62.6 -28.69 70.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -108.87 -9.66 15.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.687 HG21 HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -81.41 -43.48 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -73.03 -38.26 66.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' A' ' 82' ' ' ALA . 21.9 mtmt -65.15 70.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 88' ' ' LEU . 2.9 mt -153.64 -44.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.68 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -119.03 162.38 31.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 87.93 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 91' ' ' ARG . . . 149.26 142.22 3.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.756 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 16.1 mmt180 78.08 152.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.473 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 12.5 p -117.63 -51.89 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.36 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -173.49 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -19.98 64.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB3' ' HB3' ' A' ' 91' ' ' ARG . . . -67.05 -63.65 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.687 HG11 HG21 ' A' ' 84' ' ' ILE . 59.1 t -61.13 -51.96 67.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.621 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 7.5 ttpp -39.63 -56.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.88 -54.28 46.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.05 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.8 t60 -45.92 -25.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.827 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.0 t-105 -64.29 -68.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.458 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.8 m-80 -68.79 -3.46 12.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 67.1 m -72.97 -80.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -124.31 -13.44 7.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.05 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.3 mt -90.73 30.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 3.8 mmmm -147.21 113.14 5.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.2 -69.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.77 81.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.8 OUTLIER -151.03 -51.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.515 ' N ' HG12 ' A' ' 108' ' ' VAL . 5.8 t0 38.57 71.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.882 HD11 HD12 ' A' ' 5' ' ' LEU . 1.2 pp -100.22 162.41 21.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.3 7.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.791 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.1 t70 -92.42 175.32 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.882 HD12 HD11 ' A' ' 2' ' ' ILE . 0.1 OUTLIER 49.65 22.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 4' ' ' ASP . 52.8 t -95.05 -14.75 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 11.5 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.37 66.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.55 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.804 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.294 ' CE3' HD22 ' A' ' 37' ' ' LEU . 9.3 m0 -64.26 132.26 49.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -109.17 -164.12 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' GLN . 2.1 tttp -43.71 -58.99 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -42.75 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.642 ' OE1' ' CZ3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -50.33 -38.38 41.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.38 -29.21 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.582 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -63.92 -31.13 72.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.582 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 14.2 tttt -66.44 -47.53 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.062 HG23 HD21 ' A' ' 37' ' ' LEU . 1.8 t -56.71 -46.7 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.688 HG23 ' HZ3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -53.1 -35.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -72.85 -24.27 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 32' ' ' LEU . 1.7 mt -80.91 -62.48 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.022 ' CG2' HD11 ' A' ' 33' ' ' ILE . 42.0 t -52.15 -23.8 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -57.05 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.86 -23.36 67.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.663 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.6 -59.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 37.5 102.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 173.76 -65.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.78 . . . . 0.0 110.409 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.688 ' H ' HG23 ' A' ' 27' ' ' THR . 8.2 mttt 166.73 41.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -104.39 83.16 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.749 ' CE3' HD13 ' A' ' 33' ' ' ILE . 25.7 m95 -94.58 -2.79 50.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -73.01 -44.55 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -49.96 -50.18 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.022 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.9 mp -53.58 -61.41 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.854 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -61.65 -17.08 53.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' THR . 1.7 ttmm -101.74 0.56 36.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.788 ' C ' HD23 ' A' ' 37' ' ' LEU . 5.6 m-70 -113.82 -48.64 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.294 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -99.98 95.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -170.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.5 18.92 16.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -159.81 146.08 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 mm? -71.58 -179.86 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.854 ' HA3' ' HB2' ' A' ' 34' ' ' ALA . . . -126.48 -1.12 7.22 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -70.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.31 52.67 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -90.2 -9.71 47.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.604 ' HB3' ' CZ2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -113.87 -164.15 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 tt0 83.79 52.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.603 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -161.03 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.688 ' HZ3' HG23 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -90.37 -12.81 36.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 108.014 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -42.4 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -109.09 62.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -123.9 -71.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.57 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.55 118.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -137.77 133.07 17.58 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -157.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.507 1.793 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.08 -171.04 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 57' ' ' VAL . 68.7 t -75.74 -2.53 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.3 OUTLIER 84.39 168.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -85.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 61' ' ' SER . 14.3 p -47.64 155.46 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 60' ' ' SER . 1.3 m 82.26 -158.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.602 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 72.1 m95 -63.55 176.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.48 -166.51 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.4 mm-40 -74.52 -77.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -44.9 -37.52 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.86 ' OE2' HD13 ' A' ' 88' ' ' LEU . 12.7 mt-10 -61.17 -35.0 75.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.6 t70 -70.12 -54.59 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -56.58 17.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 73.9 mt -41.77 -71.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.894 HD13 HG13 ' A' ' 96' ' ' VAL . 32.9 mt -45.76 -51.39 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -54.78 -15.16 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -106.73 -50.52 3.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.314 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HB1' HD13 ' A' ' 84' ' ' ILE . . . -49.04 -39.37 27.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.851 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 8.1 t-80 -62.22 -14.53 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -106.58 25.83 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 72' ' ' GLU . 2.2 t -137.18 -43.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.802 HD13 ' CG ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -99.64 -74.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' C ' ' N ' ' A' ' 80' ' ' ARG . . . 126.62 98.46 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.491 ' H ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 43.8 22.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.495 ' CD ' ' HB3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -78.53 50.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.851 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.0 m95 -48.38 -37.76 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.9 -22.67 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.802 ' CG ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -106.96 -39.52 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.952 HG21 HG11 ' A' ' 96' ' ' VAL . 5.3 mm -47.18 -49.67 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -62.99 -40.5 97.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.43 60.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 87' ' ' LEU . 11.2 mt -152.32 -41.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.86 HD13 ' OE2' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -94.0 163.19 24.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.67 8.61 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 91' ' ' ARG . . . -147.08 -150.24 5.14 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.449 ' HD2' ' CZ3' ' A' ' 62' ' ' TRP . 67.4 mmt-85 54.4 166.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.567 ' H ' ' HB3' ' A' ' 95' ' ' ALA . 2.1 p -144.47 176.94 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -61.19 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -32.15 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HB3' ' H ' ' A' ' 92' ' ' THR . . . -67.14 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.952 HG11 HG21 ' A' ' 84' ' ' ILE . 61.6 t -54.84 -61.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 11.2 ttpp -36.91 -61.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 102' ' ' SER . 4.6 t-20 -60.19 -54.96 39.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.602 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 22.8 t60 -44.12 -28.1 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 1.092 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 16.5 t-105 -61.33 -67.27 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.9 m-80 -72.46 -3.77 26.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.572 ' HB2' ' HA ' ' A' ' 99' ' ' HIS . 51.5 m -72.86 -80.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -114.11 -14.12 12.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.092 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 3.2 mm -88.36 29.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 101' ' ' ASN . 1.6 mmtt -152.77 108.26 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 108' ' ' VAL . 0.8 OUTLIER -73.78 -65.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -66.32 72.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -154.82 -53.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.44 ' N ' HG12 ' A' ' 108' ' ' VAL . 5.0 t70 -153.24 77.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.984 ' CG2' HG11 ' A' ' 6' ' ' VAL . 9.5 mm -143.51 74.28 17.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.0 -160.57 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.77 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.683 ' O ' HD12 ' A' ' 5' ' ' LEU . 13.5 t70 -63.61 168.55 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER 71.79 13.06 6.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.984 HG11 ' CG2' ' A' ' 2' ' ' ILE . 41.3 t -100.33 -29.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.71 24.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.591 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 161.12 73.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.12 5.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.574 1.829 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.676 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 7.8 m95 -77.68 174.87 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 25.6 p -152.17 -162.91 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.9 tttt -63.74 -51.08 66.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.528 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -41.34 -38.55 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' OE2' ' CZ3' ' A' ' 10' ' ' TRP . 0.8 OUTLIER -73.17 -51.15 18.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.64 ' HA ' HD11 ' A' ' 37' ' ' LEU . 19.9 m-20 -59.89 -59.45 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.528 ' CG ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -41.9 -37.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.9 tttm -54.11 -49.0 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.963 HG13 HG13 ' A' ' 33' ' ' ILE . 2.4 t -55.32 -47.92 77.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.558 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -60.39 -35.93 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -80.35 -20.99 42.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.559 HD13 ' CG ' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -78.27 -45.31 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG22 HD11 ' A' ' 33' ' ' ILE . 22.4 t -68.17 -27.95 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -71.38 -36.18 71.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -84.32 -27.14 27.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.815 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.48 -57.2 3.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.531 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 28.74 97.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.562 1.164 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.624 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -178.06 -61.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.371 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.624 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 173.01 40.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.653 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -109.48 94.82 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.849 ' HA ' HD13 ' A' ' 33' ' ' ILE . 29.6 m95 -106.96 -4.31 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 108.015 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -77.93 -41.7 35.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.815 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -53.15 -49.5 66.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.963 HG13 HG13 ' A' ' 18' ' ' VAL . 4.3 mp -42.13 -46.2 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.67 -23.96 27.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.52 -41.57 46.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.744 ' CD2' HD13 ' A' ' 32' ' ' LEU . 36.1 m-70 -85.0 10.82 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.798 HD12 HG21 ' A' ' 18' ' ' VAL . 90.0 mt -156.01 103.83 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.28 -158.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.06 -53.47 2.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -179.88 5.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.42 160.6 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -41.75 154.03 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 9.0 tptm -65.15 80.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' CYS . 23.8 mt-30 56.91 67.73 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' GLN . 3.5 t -39.95 110.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 73.23 101.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 0.6 OUTLIER 175.32 138.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER 85.03 -9.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.604 ' CH2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -143.34 -81.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.99 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TRP . 27.4 t-80 -37.93 -45.53 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.679 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.493 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -113.88 -145.19 0.39 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' O ' ' C ' ' A' ' 53' ' ' LEU . 2.0 t-80 71.28 -49.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' C ' ' O ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -31.04 95.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 52' ' ' HIS . 5.7 p30 -61.99 152.66 76.5 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -157.06 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.13 -168.05 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG21 ' O ' ' A' ' 63' ' ' THR . 2.4 t -66.0 -29.52 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.66 66.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' SER . 4.8 tptt 40.45 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.0 p -45.36 94.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER 175.36 -152.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.609 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 50.0 m95 -62.66 172.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.527 ' O ' HG21 ' A' ' 57' ' ' VAL . 44.2 p -132.62 -157.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.396 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' ASP . 3.1 mt-10 -79.72 -79.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -44.42 -35.04 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 5.9 mt-10 -65.78 -40.31 91.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.7 t70 -60.52 -52.65 64.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mmp_? -55.19 -61.52 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.628 ' HB ' HD21 ' A' ' 88' ' ' LEU . 75.7 mt -39.03 -46.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -59.04 -68.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -46.41 -25.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 1.019 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.5 mt-10 -77.69 -70.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.732 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -49.22 -22.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.76 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 37.3 t-80 -72.37 -42.33 65.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -84.51 6.79 22.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 72' ' ' GLU . 3.4 t -112.68 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -130.64 -50.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.622 ' O ' ' NE2' ' A' ' 74' ' ' HIS . . . 127.73 -68.35 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -148.89 20.27 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 77' ' ' LEU . 3.4 mpt_? -70.19 59.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.76 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 14.6 m95 -52.03 -36.96 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.24 42.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.487 ' HB2' HD13 ' A' ' 77' ' ' LEU . 27.0 mm-40 -105.74 -34.4 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.978 HG21 HG11 ' A' ' 96' ' ' VAL . 10.1 mm -50.48 -48.82 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -62.59 -43.6 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -49.25 -25.71 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.732 HD13 ' CB ' ' A' ' 73' ' ' ALA . 1.4 mt -86.61 -33.27 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 84' ' ' ILE . 3.4 mp -106.27 105.87 55.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.91 2.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.502 1.791 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.45 39.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.603 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER 171.63 -175.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.781 . . . . 0.0 110.275 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.909 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 40.5 p -134.02 -140.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.46 -29.97 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.564 ' HB1' ' HG2' ' A' ' 91' ' ' ARG . . . -71.08 -67.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.978 HG11 HG21 ' A' ' 84' ' ' ILE . 85.4 t -54.28 -60.26 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.587 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.5 ttpp -37.25 -58.64 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' TRP . 11.0 t-20 -58.51 -53.25 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.01 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.9 t60 -45.05 -25.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.1 t-105 -64.47 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.1 m-80 -70.98 -2.72 16.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.9 m -73.07 -81.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -121.64 -13.22 8.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.01 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.8 mt -90.84 32.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 1.8 mmmm -148.43 100.99 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.437 ' NE ' ' HB2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -62.12 -59.43 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.453 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -68.23 68.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 107' ' ' LYS . 1.0 OUTLIER -157.2 -51.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -87.29 47.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.969 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.743 HD12 ' CD1' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -105.04 -179.42 0.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.349 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.646 ' HD2' ' HB ' ' A' ' 2' ' ' ILE . 18.3 Cg_endo -74.99 20.35 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 6' ' ' VAL . 5.6 t0 -124.97 -152.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.743 ' CD1' HD12 ' A' ' 2' ' ' ILE . 0.3 OUTLIER 70.31 4.35 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 4' ' ' ASP . 1.1 t -132.97 -153.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.45 27.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 105.09 72.22 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HB3' ' C ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -75.0 -157.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.761 ' C ' HG23 ' A' ' 11' ' ' THR . 11.5 m0 -78.61 -74.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 107.981 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.761 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.1 p 69.38 -153.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.1 ttpm? -73.94 -34.32 64.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -50.78 -62.34 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.781 ' CG ' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -50.23 -40.23 46.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.631 ' O ' HD13 ' A' ' 19' ' ' ILE . 5.0 m-20 -65.25 -23.15 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -83.77 -26.18 29.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 6.6 tttt -85.95 -45.78 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.7 HG21 HG23 ' A' ' 33' ' ' ILE . 2.3 t -64.25 -28.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.646 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.6 OUTLIER -71.65 -54.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -34.78 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.618 ' CB ' HD13 ' A' ' 32' ' ' LEU . 51.4 mt -65.13 -58.06 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.644 ' CG2' HD11 ' A' ' 33' ' ' ILE . 78.4 t -61.19 -16.74 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -24.32 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -22.76 15.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.924 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.3 m-85 -89.77 -53.51 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.91 ' O ' HG23 ' A' ' 27' ' ' THR . . . 147.12 -106.03 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -175.53 55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 110.366 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -151.56 -44.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -74.08 83.21 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.709 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.9 m95 -72.31 -6.42 43.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -65.42 -43.65 89.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.924 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -51.83 -18.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.709 HD13 ' HA ' ' A' ' 30' ' ' TRP . 4.1 mp -87.15 -48.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.53 30.01 3.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HB2' HG23 ' A' ' 31' ' ' THR . 10.4 tttp -123.21 -37.8 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.707 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 3.8 m170 -82.66 -11.98 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.781 HD11 ' CG ' ' A' ' 14' ' ' GLU . 1.7 mm? -116.22 -177.81 3.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.54 ' CD ' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -151.37 32.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.02 62.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.489 ' O ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER 76.23 152.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 34.68 93.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 10' ' ' TRP . . . -31.68 105.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -40.32 104.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.67 91.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 15.4 p -98.01 125.02 42.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.248 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 46' ' ' ARG . 27.5 mtm105 55.87 93.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.53 -41.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -86.03 -27.09 25.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -105.33 -54.7 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.78 -45.7 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.612 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' HIS . 1.2 m-80 -112.31 -149.55 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER 81.65 -50.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.576 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 53' ' ' LEU . 1.3 pp -47.33 99.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -141.5 84.8 12.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.04 -90.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 55' ' ' PRO . 17.3 tt0 59.24 149.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.453 HG21 ' C ' ' A' ' 63' ' ' THR . 21.4 t -69.7 -75.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 60' ' ' SER . 17.0 ttmt -166.73 87.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.65 -90.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 58' ' ' LYS . 91.8 p -101.69 -98.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' SER . 9.3 p 35.16 -149.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.613 ' CZ2' ' HB2' ' A' ' 99' ' ' HIS . 95.0 m95 -62.75 -178.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.453 ' C ' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -121.22 -167.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.1 mm-40 -77.64 -77.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -44.94 -33.59 2.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.797 ' HG2' HD22 ' A' ' 88' ' ' LEU . 3.5 mt-10 -64.15 -36.33 83.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -71.29 -51.73 22.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 71' ' ' PHE . 49.7 mtp180 -60.26 -62.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.027 HD12 HD21 ' A' ' 88' ' ' LEU . 45.5 mt -39.26 -71.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.939 HD13 HG13 ' A' ' 96' ' ' VAL . 45.7 mt -48.01 -48.31 12.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 49.6 t80 -59.96 -13.83 13.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 16.4 pt-20 -132.82 22.53 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -119.15 -14.33 9.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.764 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 6.6 t-80 -81.82 -33.52 30.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 11.02 17.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.6 t -112.83 -25.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CB ' ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -132.21 -75.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.732 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 161.37 -141.43 7.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -91.56 20.22 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.477 ' HD2' ' CB ' ' A' ' 77' ' ' LEU . 3.8 ptp180 -72.36 48.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.764 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 13.0 m95 -40.22 -34.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 80' ' ' ARG . . . -46.15 -24.12 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 86' ' ' LYS . 21.9 mm-40 -116.61 -45.22 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.951 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -43.66 -27.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -86.23 -44.38 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' GLU . 15.5 mttt -63.9 72.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.0 mt -153.65 -43.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.027 HD21 HD12 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -120.58 149.74 50.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.98 98.94 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.42 141.94 4.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 31.0 mmt180 67.0 135.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -102.95 -152.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -72.99 -48.59 35.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -14.53 37.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 91' ' ' ARG . . . -83.7 -68.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.951 HG11 ' CG2' ' A' ' 84' ' ' ILE . 98.2 t -54.48 -49.03 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.627 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 9.5 ttpp -38.63 -61.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 102' ' ' SER . 3.9 t-20 -62.92 -39.13 93.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.613 ' HB2' ' CZ2' ' A' ' 62' ' ' TRP . 1.9 t60 -49.6 -21.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.533 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -70.32 -51.29 31.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.033 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 61.5 m-80 -88.5 -4.86 58.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 98' ' ' ASN . 3.6 t -73.4 -73.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.6 m -135.59 -7.85 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.533 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.1 mm -99.22 35.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -118.9 42.75 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -73.69 -64.95 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.0 OUTLIER -67.05 93.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 107' ' ' LYS . 1.8 t -157.15 -52.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.467 ' O ' HG22 ' A' ' 110' ' ' THR . 6.8 t70 -153.76 78.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 109' ' ' ASP . 15.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.565 ' CG2' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 64.68 153.2 0.12 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.605 ' HD2' HG22 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.95 -168.12 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.415 1.745 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.589 ' O ' ' O ' ' A' ' 5' ' ' LEU . 11.9 t0 -70.08 112.52 6.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.93 HD13 ' C ' ' A' ' 38' ' ' LYS . 1.2 mp 41.78 103.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.605 HG22 ' HD2' ' A' ' 3' ' ' PRO . 92.5 t -69.98 -103.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.577 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -82.44 35.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.7 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 77.17 47.68 8.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.7 ' HD3' ' N ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.96 111.73 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.786 ' C ' HG23 ' A' ' 11' ' ' THR . 10.8 m0 -116.94 -62.86 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.786 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.2 p 71.33 177.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -63.59 -16.08 59.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' A' ' 16' ' ' GLN . 1.9 tt0 -67.84 -52.31 38.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.566 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -53.05 -46.02 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.931 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.577 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -64.6 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' A' ' 13' ' ' GLU . 6.0 pt20 -38.15 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.704 ' C ' HD12 ' A' ' 21' ' ' LEU . 24.3 mttt -68.69 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 33' ' ' ILE . 26.2 t -42.08 -36.27 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -62.68 -80.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.557 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.8 mt-10 -44.33 -45.0 8.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.081 HD13 HD13 ' A' ' 32' ' ' LEU . 13.9 mt -54.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.842 HG11 ' CE2' ' A' ' 49' ' ' TRP . 4.4 t -48.68 -21.88 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -74.0 -38.38 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -101.27 -2.07 32.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.905 ' CD2' HD23 ' A' ' 32' ' ' LEU . 4.2 m-85 -109.9 -54.06 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.907 ' O ' HG23 ' A' ' 27' ' ' THR . . . 109.37 -91.85 0.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.907 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -177.21 37.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 -10.51 12.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -127.53 62.27 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.645 ' CH2' ' HA ' ' A' ' 46' ' ' ARG . 79.7 m95 -57.57 -18.74 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.26 -39.29 66.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.943 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.081 HD13 HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.1 -49.77 68.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.831 HD12 ' HG ' ' A' ' 32' ' ' LEU . 4.1 mp -58.59 -43.4 87.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.76 7.8 22.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' THR . 4.0 tttp -113.04 -42.11 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.725 ' ND1' HD11 ' A' ' 21' ' ' LEU . 7.8 m170 -83.31 -26.81 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.605 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.733 HD11 HG21 ' A' ' 18' ' ' VAL . 10.5 mt -105.4 61.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.93 ' C ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -55.91 -162.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.57 ' N ' HD13 ' A' ' 5' ' ' LEU . . . 100.88 13.3 34.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.586 ' O ' ' O ' ' A' ' 41' ' ' LEU . 1.3 tmm_? 88.28 126.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 35.18 99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' LEU . . . -30.38 92.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . 4.9 tmtt? -39.3 107.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 71.62 82.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.03 120.23 39.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.645 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 5.8 mtt-85 69.73 81.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.1 -75.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -20.07 58.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.842 ' CE2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.45 20.45 17.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 46' ' ' ARG . 22.7 t-80 -134.56 -123.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.705 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -33.77 -66.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ASN . 24.6 t60 -37.6 -51.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -84.06 79.57 9.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -138.22 96.64 9.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.98 -8.76 20.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 57' ' ' VAL . 29.5 tt0 56.48 160.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 2.5 t -78.67 -74.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 2.5 tttt 84.64 -164.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -43.74 92.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.6 p -84.18 -149.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m 48.08 -145.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.749 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 47.7 m95 -61.98 173.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -129.89 -162.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.9 mm-40 -75.12 -77.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -44.01 -41.57 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 12.1 mt-10 -60.81 -38.1 84.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t70 -58.65 -52.04 67.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 69' ' ' ILE . 7.2 mtp180 -63.5 -59.21 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' ARG . 73.9 mt -36.23 -53.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.1 mm -52.65 -68.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -48.58 -24.14 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 1.014 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -78.14 -71.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.755 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -44.42 -25.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 20.8 t-80 -64.48 -52.48 57.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 1.45 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.014 HG23 ' O ' ' A' ' 72' ' ' GLU . 4.9 t -104.32 -16.44 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -133.04 -71.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.26 100.91 0.91 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.557 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER 39.16 28.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.609 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 3.6 mpt_? -78.72 52.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.4 m95 -51.73 -38.11 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -17.69 36.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.3 mm-40 -109.56 -37.82 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.87 HG21 HG11 ' A' ' 96' ' ' VAL . 4.0 mm -50.23 -46.42 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.745 ' HB1' ' O ' ' A' ' 91' ' ' ARG . . . -68.71 -52.55 29.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -45.18 -26.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.8 -45.34 24.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -94.76 117.76 66.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.32 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.797 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.37 57.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.745 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 0.4 OUTLIER 172.15 151.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.3 p -112.07 -172.12 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -76.71 -41.17 46.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 98' ' ' ASN . 0.1 OUTLIER -61.79 -20.36 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.483 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -79.76 -65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.87 HG11 HG21 ' A' ' 84' ' ' ILE . 99.1 t -54.68 -60.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HB2' ' CG ' ' A' ' 81' ' ' TRP . 8.2 ttpp -39.79 -53.71 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 15.6 t-20 -61.52 -48.51 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.868 ' NE2' HD11 ' A' ' 104' ' ' ILE . 2.7 t60 -52.68 -27.0 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.541 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 5.1 t-105 -65.44 -50.17 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.463 ' C ' ' HG2' ' A' ' 105' ' ' LYS . 62.7 m-80 -87.55 2.11 51.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 41.0 t -75.48 -80.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.1 m -126.92 -8.19 6.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.868 HD11 ' NE2' ' A' ' 99' ' ' HIS . 9.9 mt -100.48 40.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.494 ' CD ' ' H ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -125.39 39.67 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -95.3 -60.81 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -64.44 88.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 107' ' ' LYS . 0.9 OUTLIER -156.39 -49.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.552 ' O ' HG22 ' A' ' 110' ' ' THR . 12.4 t0 -154.17 71.12 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 109' ' ' ASP . 8.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 2' ' ' ILE . 1.9 pp -146.26 109.25 4.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.436 0.727 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.02 8.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.712 ' O ' HD12 ' A' ' 5' ' ' LEU . 22.0 t0 -112.39 145.73 39.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 75.24 11.21 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.761 ' CG2' HD12 ' A' ' 2' ' ' ILE . 4.5 t -117.99 -133.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.595 ' H ' HG12 ' A' ' 6' ' ' VAL . 20.2 mmmt 38.21 31.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 116.65 79.06 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.84 27.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.995 ' CE3' HD22 ' A' ' 37' ' ' LEU . 11.6 m95 -91.06 130.76 36.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.527 ' CA ' ' OE1' ' A' ' 14' ' ' GLU . 74.1 p -127.07 -158.35 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -38.99 -61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -43.9 -33.75 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.734 ' HG3' HD13 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.674 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -66.02 -34.34 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -59.21 -28.25 66.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.54 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 tttt -73.51 -46.59 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.86 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -55.1 -26.23 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.633 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -73.16 -56.48 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.02 -22.23 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.731 ' HB3' HD13 ' A' ' 32' ' ' LEU . 25.5 mt -67.75 -56.69 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' VAL . 24.9 t -61.86 -20.48 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -76.87 -34.08 57.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.76 -25.68 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.748 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.2 m-85 -88.14 -52.98 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.918 ' O ' HG23 ' A' ' 27' ' ' THR . . . 144.15 -100.6 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -176.0 40.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.396 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 21.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 59.8 mt-30 -124.63 56.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CZ2' ' HG3' ' A' ' 46' ' ' ARG . 26.7 m95 -51.52 -22.44 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.601 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -62.89 -42.68 99.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.951 HD12 ' C ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -52.11 -19.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.86 HG13 HG13 ' A' ' 18' ' ' VAL . 4.3 mp -90.69 -50.33 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HA3' ' A' ' 42' ' ' GLY . . . -88.46 16.22 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -116.91 -38.25 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.684 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 6.3 m170 -84.59 -41.93 15.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.995 HD22 ' CE3' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -91.73 64.81 4.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -67.37 89.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 159.31 42.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.04 -172.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.04 -2.12 42.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 33' ' ' ILE . . . 46.08 26.36 2.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -98.99 -141.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 43' ' ' LYS . 51.5 tt0 33.25 91.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.602 ' SG ' HG21 ' A' ' 33' ' ' ILE . 88.3 m -150.53 -71.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 108.275 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.621 ' HG3' ' CZ2' ' A' ' 30' ' ' TRP . 69.2 mtp85 -57.13 80.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' CYS . 24.7 tt0 -155.91 -43.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -34.65 63.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.633 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -112.89 -11.23 13.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -76.89 -113.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.615 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.666 ' ND2' ' H ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -73.98 58.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.44 ' ND1' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -117.41 -36.65 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.58 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 52' ' ' HIS . 1.4 tt -39.16 129.05 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -120.27 114.58 33.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.439 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.05 -85.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 44.3 tt0 54.87 162.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.594 HG21 ' O ' ' A' ' 63' ' ' THR . 1.7 t -90.25 25.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt 75.02 136.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 60' ' ' SER . 2.6 mttt -67.62 151.61 47.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.2 p 84.48 -56.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -66.59 -158.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.715 ' CE2' ' CD2' ' A' ' 99' ' ' HIS . 56.3 m95 -63.08 175.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 108.008 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.594 ' O ' HG21 ' A' ' 57' ' ' VAL . 9.6 p -138.43 -157.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' ASP . 5.9 mm-40 -81.03 -79.94 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.56 -31.15 2.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 11.7 mt-10 -67.74 -38.11 83.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' GLU . 4.6 t0 -63.92 -51.35 64.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 69' ' ' ILE . 1.7 mtp180 -56.19 -61.46 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' ARG . 69.7 mt -36.99 -43.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.499 HD13 ' CG2' ' A' ' 84' ' ' ILE . 1.1 mm -61.66 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 1.5 t80 -47.71 -22.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 1.032 ' O ' HG23 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -80.73 -70.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.928 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -47.41 -24.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.789 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 21.2 t-80 -70.22 -43.17 71.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.3 pttt -85.55 8.32 19.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 72' ' ' GLU . 5.1 t -111.91 -20.6 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.928 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -130.4 -74.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 134.76 104.85 0.82 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.535 ' HA ' ' CD2' ' A' ' 74' ' ' HIS . 0.1 OUTLIER 39.42 28.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.62 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mpt_? -78.22 53.2 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.789 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -52.01 -37.44 53.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.985 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.09 36.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.0 mm-40 -112.74 -27.19 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.853 HD13 ' HB3' ' A' ' 73' ' ' ALA . 3.4 mm -62.98 -45.7 98.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 92' ' ' THR . . . -71.86 -37.43 70.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 24.1 mmtt -39.18 -31.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -78.56 -51.6 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.525 ' N ' HD22 ' A' ' 88' ' ' LEU . 1.6 mm? -101.93 112.2 65.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.56 10.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.95 7.1 13.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.596 ' CG ' ' CH2' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -116.44 -11.03 11.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.694 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 37.1 p 45.19 -91.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -159.64 -44.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' ASN . 1.1 p30 -59.03 -26.75 64.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -64.08 -64.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.841 HG11 HG21 ' A' ' 84' ' ' ILE . 61.8 t -61.51 -59.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.6 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 8.7 ttpp -40.21 -60.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 19.0 t-20 -59.28 -57.2 14.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.94 ' CD2' HD11 ' A' ' 104' ' ' ILE . 7.7 t60 -44.42 -27.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.822 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 6.1 t-105 -63.03 -69.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 70.6 m-80 -69.81 -3.11 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 70.0 m -72.23 -81.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -118.73 -13.6 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.94 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.7 mt -91.96 35.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.591 ' O ' HG22 ' A' ' 108' ' ' VAL . 10.9 mmtt -152.99 78.43 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.737 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -64.81 -67.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.427 ' HG2' ' CG2' ' A' ' 110' ' ' THR . 0.4 OUTLIER -67.81 92.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 106' ' ' ARG . 0.5 OUTLIER -107.49 -55.92 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -153.52 75.03 1.03 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.427 ' CG2' ' HG2' ' A' ' 107' ' ' LYS . 23.7 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.923 HD11 ' CD1' ' A' ' 5' ' ' LEU . 1.6 pp -72.18 157.23 89.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.471 ' CA ' ' HE2' ' A' ' 7' ' ' LYS . 18.3 Cg_endo -75.01 35.45 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.69 ' HB3' ' CD1' ' A' ' 2' ' ' ILE . 4.9 t0 -143.63 -174.33 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.923 ' CD1' HD11 ' A' ' 2' ' ' ILE . 0.3 OUTLIER 73.3 1.53 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 4' ' ' ASP . 0.8 OUTLIER -139.05 -63.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.471 ' HE2' ' CA ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -75.59 2.43 11.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 9' ' ' PRO . . . 172.92 61.53 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.04 157.67 42.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.794 ' HZ3' HD22 ' A' ' 37' ' ' LEU . 9.9 m0 -55.73 170.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 108.03 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.46 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 11.6 p -151.51 -165.02 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' GLN . 38.6 ttpt -52.9 -34.26 54.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.586 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -47.59 -76.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.576 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 23.8 mp0 -52.04 -38.87 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HA ' HD11 ' A' ' 37' ' ' LEU . 68.0 m-20 -64.81 -26.04 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.594 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 1.3 pp0? -64.84 -34.01 77.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.594 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 2.4 tttt -69.28 -40.85 77.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.939 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -56.93 -35.15 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.04 HG23 ' CZ2' ' A' ' 49' ' ' TRP . 2.8 mm -67.78 -38.67 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -21.51 64.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.855 HD13 HD13 ' A' ' 32' ' ' LEU . 3.9 mt -81.76 -66.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.961 ' CG2' HD11 ' A' ' 33' ' ' ILE . 96.3 t -50.01 -22.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 21' ' ' LEU . 3.5 mttp -71.8 -61.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.29 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.699 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -85.17 -61.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.513 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . 33.06 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 179.88 -66.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.414 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.668 ' H ' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 174.41 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -114.28 98.7 7.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.733 ' HA ' HD13 ' A' ' 33' ' ' ILE . 53.2 m95 -111.32 -11.04 14.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.028 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -68.5 -38.45 80.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.855 HD13 HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -54.44 -54.81 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.961 HD11 ' CG2' ' A' ' 22' ' ' VAL . 4.8 mp -40.91 -74.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.9 -59.01 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -46.85 -27.41 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.639 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.8 m-70 -84.52 -67.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.794 HD22 ' HZ3' ' A' ' 10' ' ' TRP . 0.2 OUTLIER -88.85 96.68 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.94 36.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.23 -8.07 45.03 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.22 158.81 19.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.58 149.9 45.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.37 50.54 4.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -95.59 -58.61 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.58 59.05 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.458 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 42.9 m -113.55 -172.32 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER 35.02 61.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 1.3 mt-10 -154.7 120.23 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.559 ' HA ' ' CD2' ' A' ' 52' ' ' HIS . 0.1 OUTLIER 80.34 -3.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 1.04 ' CZ2' HG23 ' A' ' 19' ' ' ILE . 3.6 t90 -132.77 -47.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 107.972 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' A' ' 51' ' ' ASN . 7.8 t-80 -72.86 -90.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.772 ' H ' ' ND2' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -59.49 84.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 48' ' ' ARG . 23.7 m-70 -173.35 -66.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.644 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -153.55 35.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.549 ' N ' ' CD ' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -76.88 -49.95 2.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 54' ' ' ASN . 18.1 Cg_endo -75.03 -90.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.428 1.752 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' OE2' HD11 ' A' ' 53' ' ' LEU . 19.6 tt0 58.61 153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.752 HG12 ' N ' ' A' ' 58' ' ' LYS . 29.1 t -83.82 -98.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.752 ' N ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -152.17 -170.19 3.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -63.96 88.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.17 -170.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.23 24.45 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 109.976 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' A' ' 91' ' ' ARG . 94.6 m95 -91.97 -179.82 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.564 ' O ' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -128.14 -165.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -80.69 -79.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -45.16 -27.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CD ' HD13 ' A' ' 88' ' ' LEU . 1.9 mm-40 -66.79 -39.87 87.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -69.46 -46.75 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ILE . 2.0 mtp180 -58.9 -62.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.686 HD12 HD21 ' A' ' 88' ' ' LEU . 95.8 mt -38.81 -71.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.642 HG21 HG13 ' A' ' 96' ' ' VAL . 15.0 mt -48.55 -49.78 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 54.2 t80 -58.73 -15.17 10.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -106.06 -13.12 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.791 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -92.17 -22.11 20.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.737 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 8.9 t-80 -74.57 -14.81 60.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.586 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -101.86 12.06 37.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 1.4 t -115.1 -34.37 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -125.02 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.737 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 154.4 -121.15 1.09 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 22.07 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 54.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.673 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 13.3 m95 -48.94 -35.48 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.18 48.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LYS . 7.6 mm-40 -104.16 -41.91 5.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.885 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -46.98 -42.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -70.99 -31.08 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' GLU . 19.9 mttt -66.45 67.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 4.3 mt -153.77 -44.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.686 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -114.6 127.77 26.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.3 Cg_endo -74.94 102.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.459 ' O ' ' NE ' ' A' ' 91' ' ' ARG . . . 136.24 55.95 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.734 ' HG2' ' CH2' ' A' ' 62' ' ' TRP . 4.9 tpp180 174.15 168.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -133.82 -167.78 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.72 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -28.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.508 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.23 -67.41 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.885 HG11 ' CG2' ' A' ' 84' ' ' ILE . 67.2 t -57.44 -54.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.604 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.6 ttpp -37.66 -64.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.4 -49.88 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.056 ' CD2' HD11 ' A' ' 104' ' ' ILE . 4.8 t60 -46.91 -25.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.652 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.854 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 1.8 t-105 -64.55 -69.49 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 107.995 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 68.5 m-80 -67.26 -4.51 10.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.46 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.7 m -72.06 -80.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.2 m -124.07 -13.96 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.056 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.3 mt -90.76 31.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 5.9 mmmt -148.58 111.62 4.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -68.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 1.4 tttt -69.78 77.5 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -150.22 -46.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.418 ' N ' HG12 ' A' ' 108' ' ' VAL . 8.1 t70 -152.88 73.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 179.997 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' C ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 1.094 ' CG1' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -136.67 39.72 0.45 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.848 ' HD3' ' N ' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.0 7.9 2.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.788 ' O ' HD23 ' A' ' 5' ' ' LEU . 3.5 t70 -124.3 21.77 8.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.094 HD12 ' CG1' ' A' ' 2' ' ' ILE . 0.4 OUTLIER -154.39 21.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 2' ' ' ILE . 77.6 t -114.93 -24.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HE2' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -75.96 10.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 176.37 71.67 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 163.96 34.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.77 ' C ' HG23 ' A' ' 11' ' ' THR . 11.0 m0 -110.84 -31.54 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.77 HG23 ' C ' ' A' ' 10' ' ' TRP . 1.0 OUTLIER 69.23 -161.09 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.7 tttm -81.83 -28.05 33.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -45.68 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 10' ' ' TRP . 7.8 mm-40 -49.65 -39.6 36.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 19.3 m-20 -62.35 -31.05 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -62.86 -31.2 72.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 12.0 tttm -65.34 -49.51 69.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.901 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.5 t -50.17 -38.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.525 HD13 HG12 ' A' ' 18' ' ' VAL . 3.6 mm -58.24 -47.83 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.22 -43.99 72.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 32' ' ' LEU . 2.9 mt -54.26 -46.08 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 18' ' ' VAL . 80.7 t -51.65 -60.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -14.98 9.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -86.27 -45.25 11.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.836 ' CD2' HD23 ' A' ' 32' ' ' LEU . 3.5 m-30 -84.63 -51.57 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.844 ' O ' HG23 ' A' ' 27' ' ' THR . . . 154.45 -126.55 1.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 26' ' ' GLY . 1.1 p -164.66 62.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.37 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -120.08 -62.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.5 m95 67.39 9.9 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.035 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.587 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -95.57 -52.48 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.836 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -53.45 -17.7 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.872 HG13 HG13 ' A' ' 18' ' ' VAL . 5.2 mp -91.3 -57.37 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.72 9.3 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 31' ' ' THR . 2.1 ttpp -116.94 -36.0 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 10.8 m170 -84.84 -39.18 18.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.599 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD11 ' CG2' ' A' ' 18' ' ' VAL . 1.6 mt -110.31 107.37 17.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -152.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.0 -49.52 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 1.015 ' HD2' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.65 -174.51 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.03 -179.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' LEU . . . -45.27 171.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.2 tptp -97.03 47.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' LYS . 16.8 tt0 34.91 35.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.1 m -41.44 -39.24 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.563 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 1.0 OUTLIER -44.51 -62.98 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' CB ' ' HG2' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -62.72 73.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 8.5 tpp85 -177.69 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.539 ' CZ2' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.25 -20.49 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 107.991 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 11.9 m-70 -90.56 -26.76 19.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.59 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.7 HD22 ' N ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -108.68 15.18 23.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -77.41 -56.82 4.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.635 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' CB ' ' O ' ' A' ' 52' ' ' HIS . 0.5 OUTLIER 83.84 82.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -141.73 67.21 23.44 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -76.33 -167.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 9.8 t -66.87 -17.38 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 mmtp 162.2 42.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 37.91 -92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -81.99 68.2 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.034 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -169.16 -155.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 99' ' ' HIS . 65.1 m95 -62.4 174.84 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.56 -166.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 67' ' ' ASP . 1.2 mm-40 -72.58 -79.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -37.08 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG2' HD22 ' A' ' 88' ' ' LEU . 2.0 mt-10 -62.15 -37.13 84.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.1 t70 -69.0 -52.63 26.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -55.61 -59.38 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' ARG . 62.2 mt -39.93 -72.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.625 HG21 HG13 ' A' ' 96' ' ' VAL . 30.7 mt -45.04 -55.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.2 OUTLIER -48.48 -20.67 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -97.92 -46.31 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -55.03 -21.33 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.783 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 5.0 t-80 -77.52 -14.13 59.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -100.76 9.71 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.1 t -110.86 -30.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.81 HD22 ' HD2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -133.09 -71.16 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.783 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 150.37 -118.19 0.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.96 21.12 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.81 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -73.3 52.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.692 ' CH2' ' NE2' ' A' ' 74' ' ' HIS . 10.8 m95 -48.73 -37.31 18.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.37 -28.14 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.8 mm-40 -107.83 -43.91 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.848 ' CG2' HG11 ' A' ' 96' ' ' VAL . 0.5 OUTLIER -44.98 -43.23 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -69.84 -37.13 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.6 mttm -65.38 70.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.7 mt -153.77 -43.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.424 HD22 ' HG2' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -126.76 133.19 24.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 88' ' ' LEU . 18.1 Cg_endo -75.03 127.39 10.62 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 136.43 -52.01 0.79 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.575 1.172 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 33.9 mmt180 -93.66 166.28 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.449 ' H ' ' HB3' ' A' ' 95' ' ' ALA . 25.1 p -129.52 -167.46 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -69.76 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -44.23 -29.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.449 ' HB3' ' H ' ' A' ' 92' ' ' THR . . . -64.89 -62.32 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.848 HG11 ' CG2' ' A' ' 84' ' ' ILE . 61.3 t -59.89 -54.29 36.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.619 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.8 ttpp -35.92 -65.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -57.24 -53.84 53.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.68 ' CG ' ' CE2' ' A' ' 62' ' ' TRP . 12.7 t60 -44.54 -28.48 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.561 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 1.053 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 13.1 t-105 -60.58 -68.04 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.455 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 69.4 m-80 -71.19 -4.71 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.569 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 19.0 t -70.8 -78.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.18 -14.09 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.053 HG21 ' CZ3' ' A' ' 100' ' ' TRP . 1.4 mm -88.35 31.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 100' ' ' TRP . 2.9 mmtt -150.94 73.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.449 ' H ' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -74.51 -36.59 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 107' ' ' LYS . 1.9 tttt -85.07 67.93 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -146.08 -47.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.429 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 8.1 t0 -153.09 78.85 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 179.989 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.832 HD11 ' HA ' ' A' ' 6' ' ' VAL . 5.2 pt -114.28 131.01 23.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -3.48 13.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.746 ' O ' HD12 ' A' ' 2' ' ' ILE . 18.7 t0 -137.19 144.92 43.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.863 ' O ' HG23 ' A' ' 6' ' ' VAL . 1.3 mp 49.96 -168.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 5' ' ' LEU . 2.1 t -168.39 169.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.584 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -69.4 42.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' A' ' 6' ' ' VAL . . . 141.72 71.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 6' ' ' VAL . 18.2 Cg_endo -75.02 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.575 ' CZ3' ' HA ' ' A' ' 37' ' ' LEU . 11.3 m0 -56.92 175.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 10' ' ' TRP . 9.5 p -152.31 -166.91 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.8 ttpp -47.16 -30.08 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -54.14 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 49.4 mm-40 -49.06 -38.01 22.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -65.06 -32.15 73.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.554 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.47 -27.34 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.49 -54.56 13.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.893 HG13 HG13 ' A' ' 33' ' ' ILE . 2.3 t -46.77 -42.66 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.586 ' HA ' ' CH2' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -63.11 -40.37 88.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.39 -16.55 61.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.903 HD13 HD13 ' A' ' 32' ' ' LEU . 3.7 mt -84.6 -61.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 18' ' ' VAL . 6.5 t -56.26 -20.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -59.6 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -20.96 65.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.68 ' CE2' HD22 ' A' ' 32' ' ' LEU . 4.0 m-30 -85.81 -60.88 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' A' ' 25' ' ' TYR . . . 31.14 92.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.626 HG23 ' H ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -175.17 -61.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.626 ' H ' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 173.42 57.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.43 HE22 HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -121.91 99.14 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.796 ' HA ' HD13 ' A' ' 33' ' ' ILE . 35.2 m95 -116.16 -6.96 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -39.92 30.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.903 HD13 HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.66 -53.38 55.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.893 HG13 HG13 ' A' ' 18' ' ' VAL . 4.8 mp -38.62 -70.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.61 -60.04 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.89 -29.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.64 ' N ' ' O ' ' A' ' 32' ' ' LEU . 9.9 m-70 -84.92 -62.68 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.606 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -96.99 92.22 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.538 ' CD ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -89.14 36.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.24 -15.11 8.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -137.88 55.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? 33.39 -101.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.01 41.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -54.35 2.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.45 54.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 47' ' ' GLU . 4.3 t -143.04 -42.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.586 ' HA ' ' CH2' ' A' ' 30' ' ' TRP . 22.6 mtm105 -64.32 65.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 45' ' ' CYS . 19.9 tt0 -145.19 15.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.01 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.586 ' CH2' ' HA ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -92.45 -16.05 26.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.584 ' CD2' ' NE1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -97.11 -35.43 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.566 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.523 HD22 ' N ' ' A' ' 51' ' ' ASN . 1.5 m-80 -109.14 74.82 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 -69.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.642 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -40.35 104.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -128.31 108.03 19.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.96 -90.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 55' ' ' PRO . 72.6 tt0 53.12 168.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.436 HG21 ' C ' ' A' ' 63' ' ' THR . 12.0 t -64.68 -49.05 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 60' ' ' SER . 11.9 ptmt 171.84 90.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.91 -89.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.9 m -108.67 -97.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 60' ' ' SER . 3.5 m 34.39 -149.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.635 ' CD2' ' CD2' ' A' ' 99' ' ' HIS . 61.7 m95 -63.05 175.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 107.988 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.436 ' C ' HG21 ' A' ' 57' ' ' VAL . 14.9 p -132.1 -164.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' ASP . 12.6 mm-40 -74.1 -79.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -41.58 5.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 70' ' ' ILE . 33.6 mt-10 -59.79 -36.33 76.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' GLU . 3.0 t70 -60.38 -53.86 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 69' ' ' ILE . 3.4 mtp180 -61.14 -57.25 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 68' ' ' ARG . 90.6 mt -36.02 -39.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 66' ' ' GLU . 1.0 OUTLIER -66.56 -70.33 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -48.53 -20.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -83.2 -65.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.937 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -54.4 -20.96 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.724 ' CD2' ' O ' ' A' ' 78' ' ' GLY . 19.6 t-80 -76.5 -14.31 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.646 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.84 13.43 32.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 ' HA ' ' A' ' 73' ' ' ALA . 1.2 t -117.82 -37.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.937 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -119.96 -69.36 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.724 ' O ' ' CD2' ' A' ' 74' ' ' HIS . . . 145.93 -113.24 0.67 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.05 20.27 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.935 ' HD2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -72.58 55.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.641 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 11.1 m95 -51.84 -37.03 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.995 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.41 -25.31 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.48 ' HB2' ' CD ' ' A' ' 80' ' ' ARG . 0.5 OUTLIER -99.39 -40.44 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.954 HG21 HG11 ' A' ' 96' ' ' VAL . 3.6 mm -47.89 -44.03 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.843 ' HB2' ' O ' ' A' ' 92' ' ' THR . . . -69.59 -37.1 76.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -56.65 -35.89 68.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 73' ' ' ALA . 5.9 mt -74.86 -16.7 60.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 10.7 mt -95.22 165.38 16.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.01 7.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.41 98.49 0.61 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.456 1.097 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.886 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 9.6 mmt-85 -146.69 17.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.843 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 2.0 p 45.73 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.07 -57.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -30.79 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 91' ' ' ARG . . . -68.1 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.954 HG11 HG21 ' A' ' 84' ' ' ILE . 92.8 t -53.99 -57.99 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.641 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 7.7 ttpp -39.36 -43.24 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 102' ' ' SER . 2.1 t-20 -74.95 -47.97 26.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.635 ' CD2' ' CD2' ' A' ' 62' ' ' TRP . 1.7 t60 -46.61 -22.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.632 ' CZ2' ' ND1' ' A' ' 74' ' ' HIS . 1.3 t-105 -69.52 -53.57 18.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.409 ' HA ' ' CG ' ' A' ' 105' ' ' LYS . 68.4 m-80 -88.13 -6.27 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.581 ' N ' ' O ' ' A' ' 98' ' ' ASN . 1.3 t -72.24 -73.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.4 m -136.55 -8.06 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 99' ' ' HIS . 0.9 OUTLIER -98.02 33.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER -117.17 41.09 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -65.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.5 tttt -66.78 93.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 107' ' ' LYS . 1.0 OUTLIER -156.82 -48.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.71 31.1 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.953 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' C ' ' CG1' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.661 HG22 ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -160.09 174.12 4.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.367 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.661 ' CD ' HG22 ' A' ' 2' ' ' ILE . 18.4 Cg_endo -75.02 -163.57 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.747 ' O ' HD12 ' A' ' 5' ' ' LEU . 24.9 t0 -68.24 -179.39 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER 74.34 13.01 3.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.632 HG12 ' H ' ' A' ' 7' ' ' LYS . 5.1 t -110.15 -133.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.632 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 38.91 29.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 123.16 79.36 0.46 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.04 21.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.654 ' CE3' ' HB2' ' A' ' 14' ' ' GLU . 14.2 m0 -90.43 158.74 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' GLU . 28.4 p -147.24 -165.39 2.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 25.5 tttt -39.83 -53.96 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -45.04 -40.35 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.771 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.41 -47.5 81.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.583 ' HA ' HD11 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -62.07 -49.36 76.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -48.01 -24.31 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.525 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.2 tttp -72.41 -53.82 11.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.881 HG13 ' CG1' ' A' ' 33' ' ' ILE . 2.3 t -45.96 -30.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.643 ' CD1' ' N ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.81 -47.97 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.81 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 1.4 mt -89.29 -30.8 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 18' ' ' VAL . 39.0 t -70.1 -34.94 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.07 -38.31 36.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -70.11 -23.05 62.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.717 ' CE2' HD22 ' A' ' 32' ' ' LEU . 3.7 m-30 -98.78 -48.94 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 27' ' ' THR . . . 120.56 0.27 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.156 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.732 HG23 HG13 ' A' ' 22' ' ' VAL . 0.5 OUTLIER 77.89 52.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 110.411 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 -55.52 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.25 73.16 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -54.77 -21.11 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.557 ' O ' ' N ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -54.9 -41.83 71.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.435 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.717 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -51.05 -45.74 61.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.881 ' CG1' HG13 ' A' ' 18' ' ' VAL . 3.6 mp -61.67 -39.2 82.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.05 16.7 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.557 ' N ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -120.86 -33.73 3.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.633 ' O ' ' CZ3' ' A' ' 10' ' ' TRP . 13.7 m-70 -82.57 -54.86 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.771 HD22 ' HG3' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -84.73 65.85 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -160.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 40' ' ' ARG . . . 80.74 0.91 88.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 157.58 -170.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 mm? -64.41 126.92 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.42 107.78 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -64.7 61.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.589 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.7 OUTLIER 169.33 54.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.64 80.57 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 108.288 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER 58.88 113.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 110.272 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 164.79 50.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 179.21 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.604 ' HH2' ' HA ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -112.58 -34.84 5.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 107.978 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -85.15 -36.68 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -113.68 61.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -172.01 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' CD2' ' HD3' ' A' ' 55' ' ' PRO . 1.5 tp 38.3 -98.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' HIS . 10.0 t-20 41.33 74.08 0.79 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.443 ' HD3' ' CD2' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.01 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.76 -177.18 5.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.663 HG21 ' O ' ' A' ' 63' ' ' THR . 16.5 t -97.97 -19.25 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 177.51 55.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' SER . 0.1 OUTLIER 38.45 88.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 1.5 p 84.76 -175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 74.26 -146.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.611 ' NE1' ' CG ' ' A' ' 99' ' ' HIS . 57.5 m95 -62.32 173.65 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.663 ' O ' HG21 ' A' ' 57' ' ' VAL . 52.3 p -123.04 -158.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 67' ' ' ASP . 2.6 mm-40 -79.84 -80.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -34.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -63.6 -40.67 97.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' GLU . 1.9 t0 -66.86 -47.44 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLU . 2.3 mmp_? -59.01 -62.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 73' ' ' ALA . 86.0 mt -37.48 -70.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.872 HD13 HG13 ' A' ' 96' ' ' VAL . 13.0 mt -48.25 -50.94 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -59.1 -14.24 9.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 3.1 mm-40 -125.5 15.65 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.996 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -119.89 -11.29 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.88 ' CD2' ' CH2' ' A' ' 81' ' ' TRP . 17.2 t-80 -88.53 -24.63 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.31 11.95 32.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 2.0 t -115.03 -32.14 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.996 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -118.37 -75.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 80' ' ' ARG . . . 130.61 110.44 1.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.545 ' H ' ' CD2' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 36.07 31.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 1.1 mpt_? -82.98 48.33 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.88 ' CH2' ' CD2' ' A' ' 74' ' ' HIS . 6.2 m95 -51.55 -37.17 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.03 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.22 35.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -109.98 -36.47 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.711 HG21 HG11 ' A' ' 96' ' ' VAL . 3.5 mm -54.47 -53.88 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 88' ' ' LEU . . . -59.51 -38.95 82.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -63.77 -33.98 76.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.03 6.74 20.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.799 HD11 HD11 ' A' ' 70' ' ' ILE . 14.6 mt -107.23 161.44 22.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.2 -133.37 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 73.8 mmt-85 47.81 -175.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 4.2 p -138.75 -173.15 3.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -77.74 -33.56 52.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.44 -22.29 61.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.05 -61.28 2.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.872 HG13 HD13 ' A' ' 70' ' ' ILE . 85.9 t -55.48 -60.51 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.605 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . 10.0 ttpp -36.9 -52.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' TRP . 3.4 t-20 -65.61 -54.48 27.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 1.043 ' CD2' HD11 ' A' ' 104' ' ' ILE . 5.4 t60 -45.29 -26.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.827 ' CZ3' HG21 ' A' ' 104' ' ' ILE . 2.9 t-105 -63.81 -69.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 69.5 m-80 -67.19 -4.85 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 69.2 m -71.7 -79.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.5 m -123.48 -13.54 7.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.043 HD11 ' CD2' ' A' ' 99' ' ' HIS . 3.2 mt -91.92 34.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.591 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -149.99 86.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.684 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -64.84 -70.61 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.32 91.71 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER -104.56 -53.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 108' ' ' VAL . 8.5 t0 38.39 70.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 109' ' ' ASP . 1.1 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 stop_ save_